NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632524 |
5ynr   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5ynr
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 224
_TA_constraint_stats_list.Viol_count 323
_TA_constraint_stats_list.Viol_total 3731.25
_TA_constraint_stats_list.Viol_max 5.75
_TA_constraint_stats_list.Viol_rms 0.54
_TA_constraint_stats_list.Viol_average_all_restraints 0.17
_TA_constraint_stats_list.Viol_average_violations_only 1.16
_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 THR C 1 5 SER N 1 5 SER CA 1 5 SER C 161.30 -58.70 -122.58 -162.25 -69.89 . . 0 "[ . 1]"
2 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 SER N 106.20 178.90 143.31 104.82 179.56 1.38 2 0 "[ . 1]"
3 . 1 5 SER C 1 6 SER N 1 6 SER CA 1 6 SER C 176.80 -52.10 -89.10 -160.85 -64.24 . . 0 "[ . 1]"
4 . 1 6 SER N 1 6 SER CA 1 6 SER C 1 7 LEU N 92.20 -170.50 134.06 90.77 169.50 1.43 5 0 "[ . 1]"
5 . 1 6 SER C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -160.00 -53.70 -117.30 -140.15 -78.75 . . 0 "[ . 1]"
6 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 THR N 104.10 161.50 126.18 134.20 126.05 0.95 5 0 "[ . 1]"
7 . 1 7 LEU C 1 8 THR N 1 8 THR CA 1 8 THR C 176.20 -61.70 -153.94 -175.76 -136.04 . . 0 "[ . 1]"
8 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 ILE N 80.60 -166.80 164.27 126.35 -166.31 0.49 4 0 "[ . 1]"
9 . 1 8 THR C 1 9 ILE N 1 9 ILE CA 1 9 ILE C -153.40 -87.40 -87.21 -86.52 -87.03 2.83 8 0 "[ . 1]"
10 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 CYS N 113.20 179.80 155.26 161.75 158.97 . . 0 "[ . 1]"
11 . 1 9 ILE C 1 10 CYS N 1 10 CYS CA 1 10 CYS C -170.80 -108.40 -109.71 -117.73 -106.90 1.50 5 0 "[ . 1]"
12 . 1 10 CYS N 1 10 CYS CA 1 10 CYS C 1 11 SER N 136.80 -178.80 150.34 136.76 161.22 0.04 2 0 "[ . 1]"
13 . 1 10 CYS C 1 11 SER N 1 11 SER CA 1 11 SER C -174.80 -97.90 -97.69 -101.25 -95.86 2.04 5 0 "[ . 1]"
14 . 1 11 SER N 1 11 SER CA 1 11 SER C 1 12 ILE N 137.20 177.20 155.80 136.61 175.76 0.59 2 0 "[ . 1]"
15 . 1 11 SER C 1 12 ILE N 1 12 ILE CA 1 12 ILE C -150.20 -74.90 -102.04 -91.23 -97.81 . . 0 "[ . 1]"
16 . 1 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 PRO N 113.20 179.80 114.51 124.41 115.89 0.89 6 0 "[ . 1]"
17 . 1 13 PRO C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -76.10 -36.10 -59.33 -59.64 -60.03 . . 0 "[ . 1]"
18 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 GLY N -51.90 -11.90 -32.11 -31.14 -32.52 . . 0 "[ . 1]"
19 . 1 15 GLY C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -103.90 -37.50 -75.32 -73.72 -74.39 . . 0 "[ . 1]"
20 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 LYS N -67.10 -16.10 -22.72 -22.39 -25.49 0.15 6 0 "[ . 1]"
21 . 1 16 VAL C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -81.60 -41.60 -65.01 -69.80 -61.95 . . 0 "[ . 1]"
22 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 GLU N -63.40 -23.40 -39.42 -46.90 -28.90 . . 0 "[ . 1]"
23 . 1 17 LYS C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -83.40 -43.40 -64.68 -71.16 -60.45 . . 0 "[ . 1]"
24 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASP N -59.50 -19.50 -43.24 -45.81 -50.60 . . 0 "[ . 1]"
25 . 1 18 GLU C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -84.90 -44.90 -61.48 -61.42 -65.32 . . 0 "[ . 1]"
26 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 LEU N -63.00 -23.00 -36.63 -44.23 -27.81 . . 0 "[ . 1]"
27 . 1 19 ASP C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -93.00 -33.00 -70.59 -87.19 -61.44 . . 0 "[ . 1]"
28 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 LYS N -61.10 -21.10 -29.54 -38.59 -22.92 . . 0 "[ . 1]"
29 . 1 20 LEU C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -82.20 -42.20 -74.54 -70.19 -72.20 0.67 1 0 "[ . 1]"
30 . 1 21 LYS N 1 21 LYS CA 1 21 LYS C 1 22 LYS N -62.50 -22.50 -43.76 -51.06 -37.40 . . 0 "[ . 1]"
31 . 1 21 LYS C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -83.00 -43.00 -62.08 -59.68 -61.27 . . 0 "[ . 1]"
32 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 PHE N -60.20 -20.20 -30.61 -41.01 -19.69 0.51 8 0 "[ . 1]"
33 . 1 22 LYS C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -86.50 -42.90 -53.42 -54.84 -57.63 . . 0 "[ . 1]"
34 . 1 23 PHE N 1 23 PHE CA 1 23 PHE C 1 24 ARG N -66.10 -26.10 -44.31 -53.66 -39.07 . . 0 "[ . 1]"
35 . 1 23 PHE C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -93.30 -51.30 -88.59 -94.91 -74.62 1.61 4 0 "[ . 1]"
36 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 PHE N -60.40 -2.50 -29.41 -39.86 -5.85 . . 0 "[ . 1]"
37 . 1 24 ARG C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -120.80 -80.80 -86.06 -115.95 -79.79 1.01 3 0 "[ . 1]"
38 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 SER N -29.30 39.90 -25.99 -15.39 -23.59 2.47 3 0 "[ . 1]"
39 . 1 25 PHE C 1 26 SER N 1 26 SER CA 1 26 SER C -170.00 -30.00 -133.73 -152.20 -118.94 . . 0 "[ . 1]"
40 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 LYS N 75.70 -144.30 82.50 73.89 94.50 1.81 4 0 "[ . 1]"
41 . 1 27 LYS C 1 28 SER N 1 28 SER CA 1 28 SER C 176.00 -78.40 -94.92 -78.35 -86.39 0.42 2 0 "[ . 1]"
42 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 THR N 91.20 -147.80 174.77 150.43 -171.16 . . 0 "[ . 1]"
43 . 1 29 THR C 1 30 THR N 1 30 THR CA 1 30 THR C 168.00 -105.00 -123.31 -104.37 -104.38 1.68 7 0 "[ . 1]"
44 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 MET N 114.10 -168.30 -170.00 -169.12 -172.63 2.98 4 0 "[ . 1]"
45 . 1 30 THR C 1 31 MET N 1 31 MET CA 1 31 MET C -157.20 -101.30 -98.82 -99.02 -99.20 5.75 4 1 "[ +. 1]"
46 . 1 31 MET N 1 31 MET CA 1 31 MET C 1 32 ASN N 105.10 177.20 122.43 111.54 137.33 . . 0 "[ . 1]"
47 . 1 31 MET C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -161.30 -114.60 -125.84 -147.82 -113.70 0.90 10 0 "[ . 1]"
48 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 ALA N 106.00 173.50 157.92 123.95 170.36 . . 0 "[ . 1]"
49 . 1 32 ASN C 1 33 ALA N 1 33 ALA CA 1 33 ALA C -151.90 -109.90 -146.95 -154.53 -110.93 2.63 4 0 "[ . 1]"
50 . 1 33 ALA N 1 33 ALA CA 1 33 ALA C 1 34 LEU N 111.60 151.60 140.44 139.02 135.18 . . 0 "[ . 1]"
51 . 1 33 ALA C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -159.10 -93.70 -123.21 -131.52 -115.09 . . 0 "[ . 1]"
52 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ILE N 103.60 143.60 113.43 110.24 109.02 . . 0 "[ . 1]"
53 . 1 34 LEU C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -139.40 -74.60 -85.71 -87.77 -89.86 . . 0 "[ . 1]"
54 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 LEU N 107.70 147.70 129.05 138.69 131.49 . . 0 "[ . 1]"
55 . 1 35 ILE C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -146.90 -98.00 -120.27 -144.68 -104.04 . . 0 "[ . 1]"
56 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 LYS N 116.10 170.80 153.51 124.07 171.23 0.43 1 0 "[ . 1]"
57 . 1 36 LEU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C -164.90 -90.40 -130.56 -131.73 -135.45 . . 0 "[ . 1]"
58 . 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ILE N 120.10 179.40 132.11 136.00 130.57 . . 0 "[ . 1]"
59 . 1 37 LYS C 1 38 ILE N 1 38 ILE CA 1 38 ILE C -167.10 -99.30 -100.73 -99.22 -99.82 2.36 3 0 "[ . 1]"
60 . 1 38 ILE N 1 38 ILE CA 1 38 ILE C 1 39 ASP N 103.60 156.60 119.82 115.24 111.82 . . 0 "[ . 1]"
61 . 1 38 ILE C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -163.20 -23.20 -107.58 -133.43 -83.65 . . 0 "[ . 1]"
62 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 ARG N 95.40 159.80 122.51 102.62 137.80 . . 0 "[ . 1]"
63 . 1 41 GLU C 1 42 SER N 1 42 SER CA 1 42 SER C -122.70 -70.20 -82.54 -77.32 -80.82 . . 0 "[ . 1]"
64 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 HIS N -28.30 27.00 -20.47 -25.26 -28.31 0.53 3 0 "[ . 1]"
65 . 1 42 SER C 1 43 HIS N 1 43 HIS CA 1 43 HIS C 37.80 77.80 63.59 37.50 68.63 0.30 10 0 "[ . 1]"
66 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 GLU N 21.50 61.50 26.59 20.53 60.65 0.97 3 0 "[ . 1]"
67 . 1 43 HIS C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -144.20 -88.90 -134.37 -130.05 -130.25 0.73 7 0 "[ . 1]"
68 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 LEU N 104.60 147.30 149.58 148.27 151.33 4.03 7 0 "[ . 1]"
69 . 1 44 GLU C 1 45 LEU N 1 45 LEU CA 1 45 LEU C -148.40 -99.00 -97.05 -98.94 -94.49 4.51 1 0 "[ . 1]"
70 . 1 45 LEU N 1 45 LEU CA 1 45 LEU C 1 46 GLN N 111.90 159.10 119.52 121.68 116.26 . . 0 "[ . 1]"
71 . 1 45 LEU C 1 46 GLN N 1 46 GLN CA 1 46 GLN C -165.80 -83.00 -120.73 -123.38 -125.31 . . 0 "[ . 1]"
72 . 1 46 GLN N 1 46 GLN CA 1 46 GLN C 1 47 SER N 119.30 159.30 156.02 144.97 160.71 1.41 10 0 "[ . 1]"
73 . 1 46 GLN C 1 47 SER N 1 47 SER CA 1 47 SER C -103.90 -63.90 -82.94 -90.95 -77.29 . . 0 "[ . 1]"
74 . 1 47 SER N 1 47 SER CA 1 47 SER C 1 48 GLU N 82.00 156.50 114.97 106.74 130.48 . . 0 "[ . 1]"
75 . 1 47 SER C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -138.00 -48.30 -67.94 -58.58 -61.22 . . 0 "[ . 1]"
76 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 GLN N -65.80 -24.50 -54.91 -66.63 -42.75 0.83 6 0 "[ . 1]"
77 . 1 48 GLU C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -179.10 -139.10 -164.04 -168.00 -178.26 . . 0 "[ . 1]"
78 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 LEU N 124.30 170.60 151.75 143.94 160.92 . . 0 "[ . 1]"
79 . 1 49 GLN C 1 50 LEU N 1 50 LEU CA 1 50 LEU C -173.30 -72.90 -128.00 -137.91 -116.54 . . 0 "[ . 1]"
80 . 1 50 LEU N 1 50 LEU CA 1 50 LEU C 1 51 LEU N 88.90 151.80 126.52 116.59 134.45 . . 0 "[ . 1]"
81 . 1 50 LEU C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -144.20 -88.90 -132.31 -133.47 -135.10 . . 0 "[ . 1]"
82 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ASN N 104.60 147.30 143.66 131.91 148.59 1.29 1 0 "[ . 1]"
83 . 1 51 LEU C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -144.30 -70.30 -128.85 -124.17 -128.11 . . 0 "[ . 1]"
84 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ASP N 95.30 168.70 155.31 148.90 162.35 . . 0 "[ . 1]"
85 . 1 53 ASP C 1 54 CYS N 1 54 CYS CA 1 54 CYS C 165.30 -97.20 -99.09 -97.84 -99.47 1.11 6 0 "[ . 1]"
86 . 1 54 CYS N 1 54 CYS CA 1 54 CYS C 1 55 SER N 145.80 -174.20 178.26 170.08 -174.07 0.13 7 0 "[ . 1]"
87 . 1 54 CYS C 1 55 SER N 1 55 SER CA 1 55 SER C -159.90 -53.50 -107.76 -113.88 -120.46 . . 0 "[ . 1]"
88 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 ILE N 142.20 -173.50 166.78 155.50 177.92 . . 0 "[ . 1]"
89 . 1 55 SER C 1 56 ILE N 1 56 ILE CA 1 56 ILE C -75.50 -35.50 -60.64 -52.35 -56.16 . . 0 "[ . 1]"
90 . 1 56 ILE N 1 56 ILE CA 1 56 ILE C 1 57 GLU N -68.90 -14.60 -36.87 -50.74 -28.40 . . 0 "[ . 1]"
91 . 1 56 ILE C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -83.60 -43.60 -61.81 -70.23 -54.76 . . 0 "[ . 1]"
92 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 GLU N -62.30 -22.30 -35.79 -31.72 -37.04 . . 0 "[ . 1]"
93 . 1 57 GLU C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -107.80 -37.70 -69.71 -66.86 -69.05 . . 0 "[ . 1]"
94 . 1 58 GLU N 1 58 GLU CA 1 58 GLU C 1 59 PHE N -55.50 -15.50 -38.91 -31.72 -35.95 0.43 3 0 "[ . 1]"
95 . 1 58 GLU C 1 59 PHE N 1 59 PHE CA 1 59 PHE C -111.10 -47.70 -62.73 -83.02 -51.35 . . 0 "[ . 1]"
96 . 1 59 PHE N 1 59 PHE CA 1 59 PHE C 1 60 LYS N -60.40 29.50 -38.36 -56.27 -23.90 . . 0 "[ . 1]"
97 . 1 59 PHE C 1 60 LYS N 1 60 LYS CA 1 60 LYS C -87.50 -46.70 -83.44 -76.74 -83.59 1.20 1 0 "[ . 1]"
98 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 GLU N -64.80 -17.80 -36.67 -52.55 -26.55 . . 0 "[ . 1]"
99 . 1 60 LYS C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -93.50 -37.50 -94.43 -97.29 -88.42 3.79 3 0 "[ . 1]"
100 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 GLU N -54.20 4.20 -6.01 -16.88 -29.36 2.28 8 0 "[ . 1]"
101 . 1 61 GLU C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -107.80 -37.70 -57.84 -69.13 -46.46 . . 0 "[ . 1]"
102 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LEU N -55.50 -15.50 -49.29 -56.10 -33.59 0.60 8 0 "[ . 1]"
103 . 1 62 GLU C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -156.20 -37.60 -134.35 -131.46 -135.77 . . 0 "[ . 1]"
104 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 PRO N 83.80 -173.50 134.73 131.19 127.25 . . 0 "[ . 1]"
105 . 1 64 PRO C 1 65 SER N 1 65 SER CA 1 65 SER C -119.90 -35.10 -60.66 -71.07 -81.63 . . 0 "[ . 1]"
106 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 GLN N -64.60 11.80 -53.07 -65.40 -30.13 0.80 8 0 "[ . 1]"
107 . 1 66 GLN C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -178.70 -89.40 -140.48 -155.19 -165.39 0.91 7 0 "[ . 1]"
108 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 PRO N 49.30 -170.70 159.45 147.80 168.60 . . 0 "[ . 1]"
109 . 1 68 PRO C 1 69 ARG N 1 69 ARG CA 1 69 ARG C 179.00 -103.20 -103.57 -102.90 -103.03 3.75 4 0 "[ . 1]"
110 . 1 69 ARG N 1 69 ARG CA 1 69 ARG C 1 70 PHE N 143.80 -176.20 153.30 151.18 147.79 0.53 9 0 "[ . 1]"
111 . 1 69 ARG C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -171.30 -122.30 -122.83 -129.01 -118.83 3.47 8 0 "[ . 1]"
112 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ILE N 126.60 175.30 136.02 131.39 127.98 1.07 10 0 "[ . 1]"
113 . 1 70 PHE C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -162.10 -112.80 -114.67 -120.63 -111.24 1.56 1 0 "[ . 1]"
114 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 LEU N 109.40 152.10 121.13 108.37 128.46 1.03 8 0 "[ . 1]"
115 . 1 71 ILE C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -138.00 -86.50 -96.26 -103.35 -91.59 . . 0 "[ . 1]"
116 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 LEU N 105.90 145.90 107.83 106.61 105.44 1.15 8 0 "[ . 1]"
117 . 1 72 LEU C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -170.40 -72.20 -104.99 -117.48 -98.79 . . 0 "[ . 1]"
118 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 SER N 121.80 169.90 139.10 133.71 126.07 . . 0 "[ . 1]"
119 . 1 73 LEU C 1 74 SER N 1 74 SER CA 1 74 SER C -166.90 -82.50 -113.12 -122.65 -103.00 . . 0 "[ . 1]"
120 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 TRP N 117.50 168.70 116.30 115.79 115.39 2.18 1 0 "[ . 1]"
121 . 1 74 SER C 1 75 TRP N 1 75 TRP CA 1 75 TRP C 170.90 -78.10 -111.40 -107.18 -109.40 . . 0 "[ . 1]"
122 . 1 75 TRP N 1 75 TRP CA 1 75 TRP C 1 76 CYS N 122.80 -167.00 128.91 132.98 130.68 . . 0 "[ . 1]"
123 . 1 75 TRP C 1 76 CYS N 1 76 CYS CA 1 76 CYS C -146.30 -67.50 -67.70 -71.72 -66.18 1.32 8 0 "[ . 1]"
124 . 1 76 CYS N 1 76 CYS CA 1 76 CYS C 1 77 LYS N 91.60 145.40 98.86 92.68 111.91 . . 0 "[ . 1]"
125 . 1 76 CYS C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -148.40 -73.50 -121.11 -122.93 -126.67 . . 0 "[ . 1]"
126 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 LYS N 87.60 150.10 114.32 101.67 130.36 . . 0 "[ . 1]"
127 . 1 77 LYS C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -133.50 -78.90 -89.80 -80.75 -85.44 0.51 5 0 "[ . 1]"
128 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 HIS N 89.70 146.60 130.76 106.97 143.67 . . 0 "[ . 1]"
129 . 1 78 LYS C 1 79 HIS N 1 79 HIS CA 1 79 HIS C -153.30 -13.30 -85.70 -77.02 -90.84 . . 0 "[ . 1]"
130 . 1 79 HIS N 1 79 HIS CA 1 79 HIS C 1 80 SER N 86.10 -133.90 163.08 129.56 -177.79 . . 0 "[ . 1]"
131 . 1 79 HIS C 1 80 SER N 1 80 SER CA 1 80 SER C -83.40 -43.40 -63.68 -68.58 -58.40 . . 0 "[ . 1]"
132 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 ASP N -46.00 -0.60 -3.32 -9.30 -20.68 1.32 3 0 "[ . 1]"
133 . 1 80 SER C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -123.40 -74.90 -83.79 -93.77 -76.20 . . 0 "[ . 1]"
134 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 GLU N -2.00 38.00 13.53 -3.30 38.36 1.30 7 0 "[ . 1]"
135 . 1 83 ARG C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -144.40 -80.60 -84.40 -94.85 -78.58 2.02 5 0 "[ . 1]"
136 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 SER N 103.40 166.40 127.91 128.52 116.72 . . 0 "[ . 1]"
137 . 1 84 ILE C 1 85 SER N 1 85 SER CA 1 85 SER C -164.10 -65.20 -114.76 -129.32 -90.67 . . 0 "[ . 1]"
138 . 1 85 SER N 1 85 SER CA 1 85 SER C 1 86 TYR N 130.50 -172.20 165.64 171.43 170.92 . . 0 "[ . 1]"
139 . 1 85 SER C 1 86 TYR N 1 86 TYR CA 1 86 TYR C -157.40 -27.20 -122.13 -117.87 -121.19 . . 0 "[ . 1]"
140 . 1 86 TYR N 1 86 TYR CA 1 86 TYR C 1 87 PRO N 68.70 -154.40 82.78 76.65 73.78 . . 0 "[ . 1]"
141 . 1 87 PRO C 1 88 MET N 1 88 MET CA 1 88 MET C -169.20 -101.00 -105.52 -151.34 -100.09 0.91 3 0 "[ . 1]"
142 . 1 88 MET N 1 88 MET CA 1 88 MET C 1 89 LEU N 137.30 177.30 136.66 146.27 137.02 2.96 6 0 "[ . 1]"
143 . 1 88 MET C 1 89 LEU N 1 89 LEU CA 1 89 LEU C -170.20 -109.00 -134.19 -142.40 -126.16 . . 0 "[ . 1]"
144 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 LEU N 103.30 150.90 147.32 151.70 149.40 0.86 7 0 "[ . 1]"
145 . 1 89 LEU C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -151.70 -82.10 -113.43 -108.54 -111.20 . . 0 "[ . 1]"
146 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 ILE N 106.00 146.00 118.14 113.66 110.49 . . 0 "[ . 1]"
147 . 1 90 LEU C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -144.80 -79.70 -105.96 -122.23 -95.59 . . 0 "[ . 1]"
148 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 TYR N 102.40 142.40 112.54 106.05 118.96 . . 0 "[ . 1]"
149 . 1 91 ILE C 1 92 TYR N 1 92 TYR CA 1 92 TYR C -134.00 -80.60 -99.32 -109.44 -88.08 . . 0 "[ . 1]"
150 . 1 92 TYR N 1 92 TYR CA 1 92 TYR C 1 93 TYR N 96.00 137.80 115.54 103.41 138.50 0.70 8 0 "[ . 1]"
151 . 1 92 TYR C 1 93 TYR N 1 93 TYR CA 1 93 TYR C -135.20 -95.20 -107.60 -131.90 -95.56 . . 0 "[ . 1]"
152 . 1 93 TYR N 1 93 TYR CA 1 93 TYR C 1 94 CYS N 101.40 141.40 129.05 136.48 130.37 1.01 8 0 "[ . 1]"
153 . 1 93 TYR C 1 94 CYS N 1 94 CYS CA 1 94 CYS C -174.50 -37.40 -118.30 -126.13 -108.98 . . 0 "[ . 1]"
154 . 1 94 CYS N 1 94 CYS CA 1 94 CYS C 1 95 PRO N 47.30 -178.40 87.13 82.35 80.48 . . 0 "[ . 1]"
155 . 1 96 ASN C 1 97 GLY N 1 97 GLY CA 1 97 GLY C 70.60 118.40 109.28 101.56 118.52 0.12 5 0 "[ . 1]"
156 . 1 97 GLY N 1 97 GLY CA 1 97 GLY C 1 98 SER N -26.60 22.70 -13.20 -14.01 -19.47 . . 0 "[ . 1]"
157 . 1 97 GLY C 1 98 SER N 1 98 SER CA 1 98 SER C -150.80 -17.30 -76.66 -94.34 -52.66 . . 0 "[ . 1]"
158 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 SER N 119.50 162.90 120.39 116.52 130.14 2.98 5 0 "[ . 1]"
159 . 1 98 SER C 1 99 SER N 1 99 SER CA 1 99 SER C -95.50 -45.40 -80.46 -80.66 -82.80 . . 0 "[ . 1]"
160 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 PRO N 106.40 174.20 146.98 136.19 160.65 . . 0 "[ . 1]"
161 . 1 100 PRO C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -85.00 -45.00 -69.22 -74.37 -64.25 . . 0 "[ . 1]"
162 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 LEU N -53.40 -3.90 -31.19 -28.55 -31.00 . . 0 "[ . 1]"
163 . 1 101 GLU C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -84.80 -44.80 -67.21 -79.34 -61.75 . . 0 "[ . 1]"
164 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLN N -57.20 -17.20 -36.52 -37.12 -38.61 . . 0 "[ . 1]"
165 . 1 102 LEU C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -77.90 -37.90 -59.82 -63.09 -55.47 . . 0 "[ . 1]"
166 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 MET N -67.70 -27.70 -45.61 -47.20 -48.30 . . 0 "[ . 1]"
167 . 1 103 GLN C 1 104 MET N 1 104 MET CA 1 104 MET C -81.70 -41.70 -68.05 -69.39 -70.30 . . 0 "[ . 1]"
168 . 1 104 MET N 1 104 MET CA 1 104 MET C 1 105 LEU N -55.60 -15.60 -31.69 -41.34 -22.89 . . 0 "[ . 1]"
169 . 1 104 MET C 1 105 LEU N 1 105 LEU CA 1 105 LEU C -85.90 -45.90 -63.31 -73.85 -56.20 . . 0 "[ . 1]"
170 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 TYR N -63.30 -23.30 -56.32 -55.85 -57.02 . . 0 "[ . 1]"
171 . 1 105 LEU C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -81.70 -41.70 -72.55 -81.99 -66.98 0.29 6 0 "[ . 1]"
172 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 ALA N -65.80 -25.80 -43.46 -43.88 -44.17 . . 0 "[ . 1]"
173 . 1 106 TYR C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -83.00 -43.00 -66.99 -73.44 -61.27 . . 0 "[ . 1]"
174 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 GLY N -57.80 -17.80 -19.86 -26.30 -16.23 1.57 5 0 "[ . 1]"
175 . 1 109 SER C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -81.00 -41.00 -69.37 -79.84 -64.87 . . 0 "[ . 1]"
176 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 ASN N -60.40 -20.40 -21.12 -19.99 -22.89 1.26 8 0 "[ . 1]"
177 . 1 111 ASN C 1 112 PHE N 1 112 PHE CA 1 112 PHE C -85.70 -45.70 -74.70 -82.72 -69.25 . . 0 "[ . 1]"
178 . 1 112 PHE N 1 112 PHE CA 1 112 PHE C 1 113 ILE N -64.60 -24.60 -40.88 -48.06 -33.34 . . 0 "[ . 1]"
179 . 1 112 PHE C 1 113 ILE N 1 113 ILE CA 1 113 ILE C -83.80 -43.80 -71.28 -75.85 -67.14 . . 0 "[ . 1]"
180 . 1 113 ILE N 1 113 ILE CA 1 113 ILE C 1 114 VAL N -64.80 -24.80 -31.20 -31.12 -32.08 0.59 4 0 "[ . 1]"
181 . 1 113 ILE C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -85.30 -45.30 -59.57 -56.66 -57.96 . . 0 "[ . 1]"
182 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 ASN N -63.60 -23.60 -31.05 -41.74 -27.10 . . 0 "[ . 1]"
183 . 1 114 VAL C 1 115 ASN N 1 115 ASN CA 1 115 ASN C -87.30 -37.30 -82.71 -87.51 -70.04 0.21 2 0 "[ . 1]"
184 . 1 115 ASN N 1 115 ASN CA 1 115 ASN C 1 116 GLU N -57.00 -17.00 -33.55 -47.81 -17.97 . . 0 "[ . 1]"
185 . 1 115 ASN C 1 116 GLU N 1 116 GLU CA 1 116 GLU C -96.30 -47.60 -63.20 -56.61 -62.10 . . 0 "[ . 1]"
186 . 1 116 GLU N 1 116 GLU CA 1 116 GLU C 1 117 CYS N -57.90 -17.90 -47.64 -52.32 -58.08 0.28 6 0 "[ . 1]"
187 . 1 116 GLU C 1 117 CYS N 1 117 CYS CA 1 117 CYS C -138.40 -52.60 -103.21 -133.95 -85.74 . . 0 "[ . 1]"
188 . 1 117 CYS N 1 117 CYS CA 1 117 CYS C 1 118 HIS N -16.10 41.00 1.39 -13.69 15.22 . . 0 "[ . 1]"
189 . 1 117 CYS C 1 118 HIS N 1 118 HIS CA 1 118 HIS C 38.40 78.40 54.31 47.68 58.89 . . 0 "[ . 1]"
190 . 1 118 HIS N 1 118 HIS CA 1 118 HIS C 1 119 VAL N 23.10 63.10 55.46 50.34 64.15 1.05 6 0 "[ . 1]"
191 . 1 118 HIS C 1 119 VAL N 1 119 VAL CA 1 119 VAL C -174.00 -41.30 -60.55 -58.05 -60.65 . . 0 "[ . 1]"
192 . 1 119 VAL N 1 119 VAL CA 1 119 VAL C 1 120 SER N 124.90 173.90 134.26 124.65 145.83 0.25 9 0 "[ . 1]"
193 . 1 120 SER C 1 121 LYS N 1 121 LYS CA 1 121 LYS C -175.40 -96.20 -161.91 -164.58 -165.30 . . 0 "[ . 1]"
194 . 1 121 LYS N 1 121 LYS CA 1 121 LYS C 1 122 ASN N 112.80 179.00 167.54 178.07 174.76 . . 0 "[ . 1]"
195 . 1 121 LYS C 1 122 ASN N 1 122 ASN CA 1 122 ASN C -166.70 -113.40 -139.58 -143.06 -148.83 . . 0 "[ . 1]"
196 . 1 122 ASN N 1 122 ASN CA 1 122 ASN C 1 123 THR N 92.20 -171.30 161.62 169.60 165.86 . . 0 "[ . 1]"
197 . 1 122 ASN C 1 123 THR N 1 123 THR CA 1 123 THR C -157.60 -101.00 -145.80 -146.94 -150.03 0.62 3 0 "[ . 1]"
198 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 GLU N 109.80 149.80 147.52 129.88 152.18 2.38 1 0 "[ . 1]"
199 . 1 123 THR C 1 124 GLU N 1 124 GLU CA 1 124 GLU C -148.50 -78.70 -134.56 -120.81 -127.80 0.90 8 0 "[ . 1]"
200 . 1 124 GLU N 1 124 GLU CA 1 124 GLU C 1 125 ILE N 108.60 148.60 134.69 114.69 146.42 . . 0 "[ . 1]"
201 . 1 124 GLU C 1 125 ILE N 1 125 ILE CA 1 125 ILE C -172.00 -77.10 -140.56 -152.86 -123.70 . . 0 "[ . 1]"
202 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 ARG N 108.50 -177.50 150.10 147.69 141.47 . . 0 "[ . 1]"
203 . 1 125 ILE C 1 126 ARG N 1 126 ARG CA 1 126 ARG C -179.20 -93.70 -107.37 -136.10 -94.74 . . 0 "[ . 1]"
204 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 ASP N 69.50 -177.50 67.61 63.93 69.36 5.57 10 1 "[ . +]"
205 . 1 126 ARG C 1 127 ASP N 1 127 ASP CA 1 127 ASP C 172.20 -98.70 173.63 171.60 171.42 3.49 8 0 "[ . 1]"
206 . 1 127 ASP N 1 127 ASP CA 1 127 ASP C 1 128 ILE N 101.20 179.80 160.48 155.27 169.74 . . 0 "[ . 1]"
207 . 1 127 ASP C 1 128 ILE N 1 128 ILE CA 1 128 ILE C -97.50 -33.30 -98.95 -98.65 -99.11 3.57 6 0 "[ . 1]"
208 . 1 128 ILE N 1 128 ILE CA 1 128 ILE C 1 129 ASP N -62.20 6.20 -33.03 -31.90 -33.22 . . 0 "[ . 1]"
209 . 1 128 ILE C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -89.30 -48.40 -77.23 -90.48 -66.67 1.18 2 0 "[ . 1]"
210 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 GLU N -59.70 8.40 -33.03 -36.89 -39.84 . . 0 "[ . 1]"
211 . 1 130 GLU C 1 131 ILE N 1 131 ILE CA 1 131 ILE C -167.10 -100.20 -106.89 -127.59 -97.60 2.60 3 0 "[ . 1]"
212 . 1 131 ILE N 1 131 ILE CA 1 131 ILE C 1 132 ASP N 119.80 -171.90 122.58 121.06 118.56 2.91 1 0 "[ . 1]"
213 . 1 132 ASP C 1 133 ASP N 1 133 ASP CA 1 133 ASP C -86.70 -34.30 -63.92 -72.56 -57.50 . . 0 "[ . 1]"
214 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 GLU N -70.00 10.00 -19.89 -25.03 -27.52 . . 0 "[ . 1]"
215 . 1 133 ASP C 1 134 GLU N 1 134 GLU CA 1 134 GLU C -84.40 -44.40 -55.37 -56.19 -56.79 . . 0 "[ . 1]"
216 . 1 134 GLU N 1 134 GLU CA 1 134 GLU C 1 135 LEU N -60.10 -20.10 -40.02 -47.88 -32.93 . . 0 "[ . 1]"
217 . 1 134 GLU C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -93.40 -40.00 -80.10 -91.92 -73.00 . . 0 "[ . 1]"
218 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 LEU N -64.70 -24.70 -30.72 -39.02 -24.33 0.37 5 0 "[ . 1]"
219 . 1 135 LEU C 1 136 LEU N 1 136 LEU CA 1 136 LEU C -93.40 -44.80 -56.86 -61.84 -51.41 . . 0 "[ . 1]"
220 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 GLU N -56.40 2.00 -33.41 -24.61 -29.44 . . 0 "[ . 1]"
221 . 1 136 LEU C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -131.30 -61.50 -65.01 -69.38 -75.62 1.14 7 0 "[ . 1]"
222 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 SER N -65.20 44.30 -26.33 -52.71 -6.07 . . 0 "[ . 1]"
223 . 1 138 SER C 1 139 LYS N 1 139 LYS CA 1 139 LYS C -157.30 -20.20 -84.45 -80.30 -84.81 . . 0 "[ . 1]"
224 . 1 139 LYS N 1 139 LYS CA 1 139 LYS C 1 140 PHE N -64.70 -24.70 -37.05 -40.95 -59.25 3.20 5 0 "[ . 1]"
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