NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614817 |
2nce   |
26016 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2nce
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 210
_TA_constraint_stats_list.Viol_count 579
_TA_constraint_stats_list.Viol_total 17603.13
_TA_constraint_stats_list.Viol_max 9.87
_TA_constraint_stats_list.Viol_rms 0.78
_TA_constraint_stats_list.Viol_average_all_restraints 0.21
_TA_constraint_stats_list.Viol_average_violations_only 1.52
_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 1 HIS C 1 2 THR N 1 2 THR CA 1 2 THR C -138.20 -42.40 -101.47 -92.15 -99.53 . . 0 "[ . 1 . 2]"
2 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 GLU N 109.90 152.50 111.59 107.01 106.23 3.67 1 0 "[ . 1 . 2]"
3 . 1 2 THR C 1 3 GLU N 1 3 GLU CA 1 3 GLU C -162.50 -55.50 -116.27 -149.03 -83.82 . . 0 "[ . 1 . 2]"
4 . 1 3 GLU N 1 3 GLU CA 1 3 GLU C 1 4 LYS N 85.40 -175.40 102.50 129.35 121.88 6.00 7 1 "[ . + 1 . 2]"
5 . 1 6 GLY C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -165.40 -113.20 -123.45 -131.88 -112.53 0.67 7 0 "[ . 1 . 2]"
6 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 ILE N 140.60 -179.40 140.32 139.09 138.99 2.69 16 0 "[ . 1 . 2]"
7 . 1 7 ARG C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -163.60 -116.60 -121.87 -133.15 -116.38 0.22 4 0 "[ . 1 . 2]"
8 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 TYR N 113.20 153.20 135.93 140.55 137.50 0.56 10 0 "[ . 1 . 2]"
9 . 1 8 ILE C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -135.10 -81.10 -93.71 -93.08 -93.58 . . 0 "[ . 1 . 2]"
10 . 1 9 TYR N 1 9 TYR CA 1 9 TYR C 1 10 LEU N 103.80 143.80 103.10 100.84 108.26 2.96 19 0 "[ . 1 . 2]"
11 . 1 9 TYR C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -145.90 -105.90 -114.66 -115.57 -116.87 . . 0 "[ . 1 . 2]"
12 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 LYS N 141.70 -178.30 141.59 140.34 140.14 1.83 10 0 "[ . 1 . 2]"
13 . 1 10 LEU C 1 11 LYS N 1 11 LYS CA 1 11 LYS C -174.40 -107.40 -127.26 -133.32 -135.42 . . 0 "[ . 1 . 2]"
14 . 1 11 LYS N 1 11 LYS CA 1 11 LYS C 1 12 ALA N 128.50 168.50 129.99 126.31 138.92 2.19 17 0 "[ . 1 . 2]"
15 . 1 11 LYS C 1 12 ALA N 1 12 ALA CA 1 12 ALA C -161.80 -101.40 -138.35 -148.20 -128.48 . . 0 "[ . 1 . 2]"
16 . 1 12 ALA N 1 12 ALA CA 1 12 ALA C 1 13 GLU N 90.90 167.70 110.59 126.49 115.00 . . 0 "[ . 1 . 2]"
17 . 1 12 ALA C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -167.20 -107.60 -135.30 -150.57 -119.19 . . 0 "[ . 1 . 2]"
18 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 VAL N 118.60 173.60 141.68 145.05 140.94 . . 0 "[ . 1 . 2]"
19 . 1 13 GLU C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -124.80 -84.80 -96.23 -114.21 -84.04 0.76 10 0 "[ . 1 . 2]"
20 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 THR N 100.10 140.10 108.62 98.66 127.69 1.44 2 0 "[ . 1 . 2]"
21 . 1 14 VAL C 1 15 THR N 1 15 THR CA 1 15 THR C -162.70 -102.70 -134.33 -129.36 -133.26 . . 0 "[ . 1 . 2]"
22 . 1 15 THR N 1 15 THR CA 1 15 THR C 1 16 ASP N 105.60 145.60 132.65 127.10 123.69 . . 0 "[ . 1 . 2]"
23 . 1 15 THR C 1 16 ASP N 1 16 ASP CA 1 16 ASP C 33.20 73.20 62.47 63.69 63.12 . . 0 "[ . 1 . 2]"
24 . 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 GLU N 23.00 63.00 37.56 26.28 48.71 . . 0 "[ . 1 . 2]"
25 . 1 16 ASP C 1 17 GLU N 1 17 GLU CA 1 17 GLU C 45.60 94.80 61.44 57.44 56.07 . . 0 "[ . 1 . 2]"
26 . 1 17 GLU N 1 17 GLU CA 1 17 GLU C 1 18 LYS N -21.40 43.80 26.02 35.15 34.51 . . 0 "[ . 1 . 2]"
27 . 1 17 GLU C 1 18 LYS N 1 18 LYS CA 1 18 LYS C -151.10 -77.10 -136.58 -151.39 -122.53 0.29 15 0 "[ . 1 . 2]"
28 . 1 18 LYS N 1 18 LYS CA 1 18 LYS C 1 19 LEU N 115.40 167.40 142.23 124.81 163.63 . . 0 "[ . 1 . 2]"
29 . 1 18 LYS C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -146.80 -64.00 -82.05 -79.87 -80.38 . . 0 "[ . 1 . 2]"
30 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 HIS N 98.70 142.90 104.43 98.25 115.33 0.45 13 0 "[ . 1 . 2]"
31 . 1 19 LEU C 1 20 HIS N 1 20 HIS CA 1 20 HIS C -136.70 -78.50 -87.38 -95.30 -80.08 . . 0 "[ . 1 . 2]"
32 . 1 20 HIS N 1 20 HIS CA 1 20 HIS C 1 21 VAL N 104.10 144.10 102.95 101.06 110.09 3.04 10 0 "[ . 1 . 2]"
33 . 1 20 HIS C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -148.70 -100.70 -104.96 -113.12 -99.36 1.34 7 0 "[ . 1 . 2]"
34 . 1 21 VAL N 1 21 VAL CA 1 21 VAL C 1 22 THR N 97.20 158.20 132.59 118.23 150.73 . . 0 "[ . 1 . 2]"
35 . 1 21 VAL C 1 22 THR N 1 22 THR CA 1 22 THR C -137.40 -97.40 -131.96 -129.58 -133.90 4.46 7 0 "[ . 1 . 2]"
36 . 1 22 THR N 1 22 THR CA 1 22 THR C 1 23 VAL N 103.50 143.50 115.64 103.42 131.01 0.08 14 0 "[ . 1 . 2]"
37 . 1 22 THR C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -151.00 -46.60 -93.46 -91.83 -102.09 . . 0 "[ . 1 . 2]"
38 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 ARG N 80.60 165.00 108.07 107.56 106.42 . . 0 "[ . 1 . 2]"
39 . 1 23 VAL C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -136.80 -40.80 -83.47 -87.53 -73.77 . . 0 "[ . 1 . 2]"
40 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 ASP N -57.60 -17.60 -60.49 -60.26 -60.33 4.37 14 0 "[ . 1 . 2]"
41 . 1 24 ARG C 1 25 ASP N 1 25 ASP CA 1 25 ASP C 137.00 -85.20 -173.96 -173.65 -174.23 . . 0 "[ . 1 . 2]"
42 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ALA N 116.60 -158.80 172.81 164.97 179.76 . . 0 "[ . 1 . 2]"
43 . 1 25 ASP C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -174.70 -95.50 -136.35 -132.54 -134.83 . . 0 "[ . 1 . 2]"
44 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 LYS N 119.60 175.20 154.28 137.93 167.80 . . 0 "[ . 1 . 2]"
45 . 1 26 ALA C 1 27 LYS N 1 27 LYS CA 1 27 LYS C -171.00 -104.40 -142.28 -136.66 -138.42 . . 0 "[ . 1 . 2]"
46 . 1 27 LYS N 1 27 LYS CA 1 27 LYS C 1 28 ASN N 130.90 -174.50 166.82 162.08 161.56 . . 0 "[ . 1 . 2]"
47 . 1 27 LYS C 1 28 ASN N 1 28 ASN CA 1 28 ASN C 35.80 75.80 64.59 58.96 68.72 . . 0 "[ . 1 . 2]"
48 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 LEU N 17.40 70.20 36.36 47.55 42.84 . . 0 "[ . 1 . 2]"
49 . 1 29 LEU C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -160.00 -71.00 -99.87 -126.78 -75.70 . . 0 "[ . 1 . 2]"
50 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 PRO N 35.60 151.60 151.06 153.81 153.20 2.69 9 0 "[ . 1 . 2]"
51 . 1 30 ILE C 1 31 PRO N 1 31 PRO CA 1 31 PRO C -88.80 -48.80 -55.87 -52.71 -55.22 1.30 17 0 "[ . 1 . 2]"
52 . 1 31 PRO N 1 31 PRO CA 1 31 PRO C 1 32 MET N 124.30 168.90 123.32 121.54 128.32 2.76 11 0 "[ . 1 . 2]"
53 . 1 32 MET C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -103.70 -51.30 -108.40 -107.77 -108.03 6.37 14 5 "[ *. - 1 +* * 2]"
54 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 PRO N 102.40 179.00 155.14 147.12 162.36 . . 0 "[ . 1 . 2]"
55 . 1 33 ASP C 1 34 PRO N 1 34 PRO CA 1 34 PRO C -75.30 -34.90 -55.46 -63.75 -42.69 . . 0 "[ . 1 . 2]"
56 . 1 34 PRO N 1 34 PRO CA 1 34 PRO C 1 35 ASN N -51.70 -11.70 -21.73 -11.58 -12.15 0.59 5 0 "[ . 1 . 2]"
57 . 1 34 PRO C 1 35 ASN N 1 35 ASN CA 1 35 ASN C -101.00 -61.00 -77.30 -90.16 -62.18 . . 0 "[ . 1 . 2]"
58 . 1 35 ASN N 1 35 ASN CA 1 35 ASN C 1 36 GLY N -24.60 18.40 -8.80 -6.06 -7.17 0.68 12 0 "[ . 1 . 2]"
59 . 1 35 ASN C 1 36 GLY N 1 36 GLY CA 1 36 GLY C 44.10 113.10 90.26 92.33 88.46 0.30 6 0 "[ . 1 . 2]"
60 . 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 LEU N -17.70 60.10 10.74 -17.62 47.22 . . 0 "[ . 1 . 2]"
61 . 1 36 GLY C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -162.60 -73.20 -124.54 -123.72 -127.57 . . 0 "[ . 1 . 2]"
62 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 SER N 133.40 -176.80 -176.46 -175.35 -175.59 2.83 16 0 "[ . 1 . 2]"
63 . 1 37 LEU C 1 38 SER N 1 38 SER CA 1 38 SER C -166.50 -122.70 -140.07 -157.71 -122.06 0.64 1 0 "[ . 1 . 2]"
64 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 ASP N 121.10 -174.10 148.63 161.51 157.73 . . 0 "[ . 1 . 2]"
65 . 1 39 ASP C 1 40 PRO N 1 40 PRO CA 1 40 PRO C -85.50 -45.50 -86.40 -87.59 -85.18 2.09 15 0 "[ . 1 . 2]"
66 . 1 40 PRO N 1 40 PRO CA 1 40 PRO C 1 41 TYR N 126.60 166.60 156.72 156.23 154.76 0.91 13 0 "[ . 1 . 2]"
67 . 1 40 PRO C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -165.10 -124.90 -132.58 -152.27 -124.02 0.88 7 0 "[ . 1 . 2]"
68 . 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 VAL N 139.20 -178.40 144.45 144.79 141.39 0.53 8 0 "[ . 1 . 2]"
69 . 1 41 TYR C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -134.90 -90.90 -95.12 -111.52 -89.48 1.42 18 0 "[ . 1 . 2]"
70 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 LYS N 109.00 153.00 128.77 117.70 148.49 . . 0 "[ . 1 . 2]"
71 . 1 42 VAL C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -148.90 -84.90 -113.05 -113.24 -115.47 . . 0 "[ . 1 . 2]"
72 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 LEU N 113.20 153.20 117.89 111.26 136.04 1.94 13 0 "[ . 1 . 2]"
73 . 1 43 LYS C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -160.20 -95.00 -108.06 -95.32 -101.75 0.32 11 0 "[ . 1 . 2]"
74 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 LYS N 104.60 176.40 124.91 107.06 147.99 . . 0 "[ . 1 . 2]"
75 . 1 44 LEU C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -165.30 -104.10 -136.18 -133.55 -138.21 . . 0 "[ . 1 . 2]"
76 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 LEU N 127.40 168.00 138.27 126.23 151.25 1.17 2 0 "[ . 1 . 2]"
77 . 1 45 LYS C 1 46 LEU N 1 46 LEU CA 1 46 LEU C -143.50 -68.90 -105.97 -130.32 -88.13 . . 0 "[ . 1 . 2]"
78 . 1 46 LEU N 1 46 LEU CA 1 46 LEU C 1 47 ILE N 107.30 166.70 117.12 114.34 111.44 1.88 12 0 "[ . 1 . 2]"
79 . 1 47 ILE C 1 48 PRO N 1 48 PRO CA 1 48 PRO C -86.10 -46.10 -73.39 -79.76 -67.31 . . 0 "[ . 1 . 2]"
80 . 1 48 PRO N 1 48 PRO CA 1 48 PRO C 1 49 ASP N 129.80 170.80 136.77 141.74 137.40 1.09 9 0 "[ . 1 . 2]"
81 . 1 48 PRO C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -159.60 -33.00 -134.77 -127.23 -134.53 . . 0 "[ . 1 . 2]"
82 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 PRO N 59.60 -160.60 69.49 58.44 108.23 1.16 15 0 "[ . 1 . 2]"
83 . 1 49 ASP C 1 50 PRO N 1 50 PRO CA 1 50 PRO C -80.90 -40.90 -76.74 -82.10 -68.03 1.20 5 0 "[ . 1 . 2]"
84 . 1 50 PRO N 1 50 PRO CA 1 50 PRO C 1 51 LYS N -42.70 -2.70 -25.98 -42.73 -6.18 0.03 19 0 "[ . 1 . 2]"
85 . 1 50 PRO C 1 51 LYS N 1 51 LYS CA 1 51 LYS C -113.40 -66.60 -95.46 -110.63 -86.03 . . 0 "[ . 1 . 2]"
86 . 1 51 LYS N 1 51 LYS CA 1 51 LYS C 1 52 ASN N -22.80 28.80 -10.09 -23.50 8.35 0.70 2 0 "[ . 1 . 2]"
87 . 1 51 LYS C 1 52 ASN N 1 52 ASN CA 1 52 ASN C 32.00 113.60 58.38 57.79 55.88 . . 0 "[ . 1 . 2]"
88 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 GLU N -22.20 68.40 36.66 16.90 51.43 . . 0 "[ . 1 . 2]"
89 . 1 53 GLU C 1 54 SER N 1 54 SER CA 1 54 SER C -111.30 -60.50 -90.21 -104.80 -70.90 . . 0 "[ . 1 . 2]"
90 . 1 54 SER N 1 54 SER CA 1 54 SER C 1 55 LYS N -46.90 -6.10 -14.38 -11.95 -16.38 1.61 7 0 "[ . 1 . 2]"
91 . 1 55 LYS C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -169.30 -85.70 -125.92 -153.28 -111.41 . . 0 "[ . 1 . 2]"
92 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 LYS N 134.00 174.00 139.68 139.69 137.52 0.88 11 0 "[ . 1 . 2]"
93 . 1 56 GLN C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -165.00 -99.00 -125.06 -143.98 -110.44 . . 0 "[ . 1 . 2]"
94 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 THR N 130.80 170.80 152.25 130.61 171.15 0.35 10 0 "[ . 1 . 2]"
95 . 1 57 LYS C 1 58 THR N 1 58 THR CA 1 58 THR C -176.50 -41.10 -99.56 -96.41 -100.93 . . 0 "[ . 1 . 2]"
96 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 LYS N 141.60 -173.80 163.28 152.08 178.08 . . 0 "[ . 1 . 2]"
97 . 1 59 LYS C 1 60 THR N 1 60 THR CA 1 60 THR C -115.40 -54.60 -61.30 -66.25 -71.88 0.57 9 0 "[ . 1 . 2]"
98 . 1 60 THR N 1 60 THR CA 1 60 THR C 1 61 ILE N 112.80 152.80 141.63 127.56 153.69 0.89 12 0 "[ . 1 . 2]"
99 . 1 60 THR C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -126.20 -84.60 -86.50 -89.63 -92.87 2.66 11 0 "[ . 1 . 2]"
100 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 ARG N 78.20 -164.00 147.18 121.17 169.85 . . 0 "[ . 1 . 2]"
101 . 1 63 SER C 1 64 THR N 1 64 THR CA 1 64 THR C -172.20 -87.60 -156.27 -156.16 -160.59 . . 0 "[ . 1 . 2]"
102 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 LEU N 121.70 -175.90 141.25 131.02 156.22 . . 0 "[ . 1 . 2]"
103 . 1 66 ASN C 1 67 PRO N 1 67 PRO CA 1 67 PRO C -92.00 -52.00 -68.83 -77.86 -56.62 . . 0 "[ . 1 . 2]"
104 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C 1 68 GLN N 128.10 178.30 138.14 128.06 148.13 0.04 14 0 "[ . 1 . 2]"
105 . 1 67 PRO C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -150.90 -57.70 -118.58 -117.31 -117.60 . . 0 "[ . 1 . 2]"
106 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 TRP N 88.90 -150.10 113.65 120.81 119.03 . . 0 "[ . 1 . 2]"
107 . 1 68 GLN C 1 69 TRP N 1 69 TRP CA 1 69 TRP C -108.70 -13.90 -95.08 -106.94 -83.94 . . 0 "[ . 1 . 2]"
108 . 1 69 TRP N 1 69 TRP CA 1 69 TRP C 1 70 ASN N -67.60 -20.40 -51.80 -68.03 -34.25 0.43 15 0 "[ . 1 . 2]"
109 . 1 69 TRP C 1 70 ASN N 1 70 ASN CA 1 70 ASN C 32.20 95.00 60.43 51.59 67.82 . . 0 "[ . 1 . 2]"
110 . 1 70 ASN N 1 70 ASN CA 1 70 ASN C 1 71 GLU N 4.10 70.30 49.66 56.83 54.91 . . 0 "[ . 1 . 2]"
111 . 1 70 ASN C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -163.60 -80.20 -109.19 -110.50 -113.84 . . 0 "[ . 1 . 2]"
112 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 SER N 118.80 -165.20 138.56 121.61 151.59 . . 0 "[ . 1 . 2]"
113 . 1 71 GLU C 1 72 SER N 1 72 SER CA 1 72 SER C -170.80 -96.20 -127.57 -114.39 -116.84 . . 0 "[ . 1 . 2]"
114 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 PHE N 126.00 172.60 134.46 125.84 149.96 0.16 3 0 "[ . 1 . 2]"
115 . 1 72 SER C 1 73 PHE N 1 73 PHE CA 1 73 PHE C -157.50 -113.30 -131.93 -139.85 -125.71 . . 0 "[ . 1 . 2]"
116 . 1 73 PHE N 1 73 PHE CA 1 73 PHE C 1 74 THR N 127.30 167.30 158.58 147.17 168.83 1.53 13 0 "[ . 1 . 2]"
117 . 1 73 PHE C 1 74 THR N 1 74 THR CA 1 74 THR C -151.40 -91.60 -134.19 -133.72 -134.28 . . 0 "[ . 1 . 2]"
118 . 1 74 THR N 1 74 THR CA 1 74 THR C 1 75 PHE N 104.70 144.70 107.34 100.71 119.78 3.99 20 0 "[ . 1 . 2]"
119 . 1 74 THR C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -131.00 -78.00 -132.86 -136.21 -124.26 5.21 20 2 "[ . -1 . +]"
120 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 LYS N 97.00 166.60 112.68 116.93 112.23 3.60 19 0 "[ . 1 . 2]"
121 . 1 75 PHE C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -110.30 -69.50 -111.72 -113.24 -114.28 8.73 6 6 "[ * .+ 1 * *- *]"
122 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 LEU N 100.60 145.20 132.18 99.54 147.37 2.17 16 0 "[ . 1 . 2]"
123 . 1 76 LYS C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -137.40 -55.80 -103.11 -110.65 -115.27 . . 0 "[ . 1 . 2]"
124 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 LYS N 109.70 155.30 158.62 121.76 165.17 9.87 16 9 "[* * .* -1** *.+ *]"
125 . 1 77 LEU C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -115.20 -50.80 -53.71 -82.24 -47.77 3.03 16 0 "[ . 1 . 2]"
126 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 PRO N 119.10 178.50 163.05 150.11 178.45 . . 0 "[ . 1 . 2]"
127 . 1 78 LYS C 1 79 PRO N 1 79 PRO CA 1 79 PRO C -76.40 -36.40 -42.36 -53.82 -34.85 1.55 5 0 "[ . 1 . 2]"
128 . 1 79 PRO N 1 79 PRO CA 1 79 PRO C 1 80 SER N -54.10 -7.30 -26.15 -7.22 -16.69 1.18 17 0 "[ . 1 . 2]"
129 . 1 79 PRO C 1 80 SER N 1 80 SER CA 1 80 SER C -93.00 -42.20 -68.90 -84.65 -57.79 . . 0 "[ . 1 . 2]"
130 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 ASP N -53.70 -4.10 -15.07 -27.05 -4.12 . . 0 "[ . 1 . 2]"
131 . 1 80 SER C 1 81 ASP N 1 81 ASP CA 1 81 ASP C -85.30 -45.30 -65.00 -67.69 -69.58 0.94 10 0 "[ . 1 . 2]"
132 . 1 81 ASP N 1 81 ASP CA 1 81 ASP C 1 82 LYS N -58.00 -18.00 -30.09 -17.41 -19.08 3.38 8 0 "[ . 1 . 2]"
133 . 1 81 ASP C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -88.00 -48.00 -61.67 -60.99 -62.37 . . 0 "[ . 1 . 2]"
134 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 ASP N -48.40 -8.40 -21.06 -17.60 -18.83 3.86 14 0 "[ . 1 . 2]"
135 . 1 82 LYS C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -117.70 -77.70 -90.08 -111.67 -79.11 . . 0 "[ . 1 . 2]"
136 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 ARG N -37.80 27.40 2.04 -19.56 28.38 0.98 4 0 "[ . 1 . 2]"
137 . 1 84 ARG C 1 85 ARG N 1 85 ARG CA 1 85 ARG C 178.10 -74.90 -135.40 -151.63 -125.67 . . 0 "[ . 1 . 2]"
138 . 1 85 ARG N 1 85 ARG CA 1 85 ARG C 1 86 LEU N 121.00 174.20 142.41 133.77 129.37 . . 0 "[ . 1 . 2]"
139 . 1 85 ARG C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -129.30 -76.90 -91.87 -109.77 -75.96 0.94 9 0 "[ . 1 . 2]"
140 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 SER N 98.20 142.60 110.00 108.07 103.90 1.07 19 0 "[ . 1 . 2]"
141 . 1 86 LEU C 1 87 SER N 1 87 SER CA 1 87 SER C -143.70 -71.70 -101.30 -129.81 -88.30 . . 0 "[ . 1 . 2]"
142 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 VAL N 89.10 156.70 126.94 128.68 127.75 . . 0 "[ . 1 . 2]"
143 . 1 87 SER C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -130.90 -90.90 -115.80 -117.36 -118.61 . . 0 "[ . 1 . 2]"
144 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 GLU N 111.80 151.80 116.03 110.75 134.77 1.05 19 0 "[ . 1 . 2]"
145 . 1 88 VAL C 1 89 GLU N 1 89 GLU CA 1 89 GLU C -156.90 -96.90 -102.02 -97.67 -99.19 0.83 18 0 "[ . 1 . 2]"
146 . 1 89 GLU N 1 89 GLU CA 1 89 GLU C 1 90 ILE N 113.40 179.00 140.87 130.21 148.86 . . 0 "[ . 1 . 2]"
147 . 1 89 GLU C 1 90 ILE N 1 90 ILE CA 1 90 ILE C -124.40 -84.40 -113.45 -114.22 -116.14 0.55 14 0 "[ . 1 . 2]"
148 . 1 90 ILE N 1 90 ILE CA 1 90 ILE C 1 91 TRP N 100.30 143.70 104.07 103.56 102.39 0.62 8 0 "[ . 1 . 2]"
149 . 1 90 ILE C 1 91 TRP N 1 91 TRP CA 1 91 TRP C -171.60 -107.20 -114.90 -131.29 -106.42 0.78 18 0 "[ . 1 . 2]"
150 . 1 91 TRP N 1 91 TRP CA 1 91 TRP C 1 92 ASP N 138.00 178.00 144.92 138.44 137.87 0.66 4 0 "[ . 1 . 2]"
151 . 1 91 TRP C 1 92 ASP N 1 92 ASP CA 1 92 ASP C -141.70 -85.10 -99.40 -90.94 -94.26 . . 0 "[ . 1 . 2]"
152 . 1 92 ASP N 1 92 ASP CA 1 92 ASP C 1 93 TRP N 96.80 156.60 126.76 109.95 142.40 . . 0 "[ . 1 . 2]"
153 . 1 92 ASP C 1 93 TRP N 1 93 TRP CA 1 93 TRP C -145.70 -54.50 -77.58 -80.48 -82.47 . . 0 "[ . 1 . 2]"
154 . 1 93 TRP N 1 93 TRP CA 1 93 TRP C 1 94 ASP N 82.30 156.10 120.44 123.49 122.61 . . 0 "[ . 1 . 2]"
155 . 1 93 TRP C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -155.80 -89.00 -134.02 -148.20 -127.35 . . 0 "[ . 1 . 2]"
156 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 ARG N 79.50 -146.70 98.58 77.43 140.96 2.07 17 0 "[ . 1 . 2]"
157 . 1 95 ARG C 1 96 THR N 1 96 THR CA 1 96 THR C -89.50 -47.50 -77.79 -89.85 -59.58 0.35 7 0 "[ . 1 . 2]"
158 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 THR N -58.70 -1.90 -40.81 -6.19 -20.88 3.34 14 0 "[ . 1 . 2]"
159 . 1 101 PHE C 1 102 MET N 1 102 MET CA 1 102 MET C -125.20 -82.60 -95.30 -97.72 -103.49 0.85 2 0 "[ . 1 . 2]"
160 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 GLY N -55.50 -2.50 -41.12 -57.14 -11.22 1.64 18 0 "[ . 1 . 2]"
161 . 1 103 GLY C 1 104 SER N 1 104 SER CA 1 104 SER C 148.60 -71.40 -155.71 -165.64 -139.54 . . 0 "[ . 1 . 2]"
162 . 1 104 SER N 1 104 SER CA 1 104 SER C 1 105 LEU N 140.50 -158.70 162.42 143.41 178.11 . . 0 "[ . 1 . 2]"
163 . 1 106 SER C 1 107 PHE N 1 107 PHE CA 1 107 PHE C -158.90 -97.90 -110.36 -112.44 -115.41 0.38 8 0 "[ . 1 . 2]"
164 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 GLY N 114.90 174.90 137.95 120.64 165.27 . . 0 "[ . 1 . 2]"
165 . 1 108 GLY C 1 109 VAL N 1 109 VAL CA 1 109 VAL C -77.40 -37.40 -62.42 -65.36 -66.37 . . 0 "[ . 1 . 2]"
166 . 1 109 VAL N 1 109 VAL CA 1 109 VAL C 1 110 SER N -62.00 -22.00 -45.54 -40.98 -41.35 . . 0 "[ . 1 . 2]"
167 . 1 109 VAL C 1 110 SER N 1 110 SER CA 1 110 SER C -81.90 -41.90 -59.78 -68.67 -52.57 . . 0 "[ . 1 . 2]"
168 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 GLU N -58.80 -18.80 -34.50 -44.49 -24.87 . . 0 "[ . 1 . 2]"
169 . 1 110 SER C 1 111 GLU N 1 111 GLU CA 1 111 GLU C -84.50 -44.50 -66.01 -68.41 -70.83 . . 0 "[ . 1 . 2]"
170 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C 1 112 LEU N -62.90 -22.90 -43.89 -54.43 -36.62 . . 0 "[ . 1 . 2]"
171 . 1 111 GLU C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -85.50 -45.50 -70.40 -80.33 -60.25 . . 0 "[ . 1 . 2]"
172 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 MET N -60.50 -12.10 -28.57 -35.83 -18.82 . . 0 "[ . 1 . 2]"
173 . 1 112 LEU C 1 113 MET N 1 113 MET CA 1 113 MET C -86.80 -46.80 -67.82 -67.72 -69.37 . . 0 "[ . 1 . 2]"
174 . 1 113 MET N 1 113 MET CA 1 113 MET C 1 114 LYS N -52.90 -12.90 -30.19 -27.04 -27.10 . . 0 "[ . 1 . 2]"
175 . 1 113 MET C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -104.80 -61.80 -95.88 -105.35 -85.91 0.55 8 0 "[ . 1 . 2]"
176 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 MET N -61.10 24.50 -31.04 -37.92 -21.98 . . 0 "[ . 1 . 2]"
177 . 1 115 MET C 1 116 PRO N 1 116 PRO CA 1 116 PRO C -87.10 -47.10 -60.72 -67.17 -50.09 . . 0 "[ . 1 . 2]"
178 . 1 116 PRO N 1 116 PRO CA 1 116 PRO C 1 117 ALA N 124.20 172.00 128.44 126.97 125.08 1.86 1 0 "[ . 1 . 2]"
179 . 1 116 PRO C 1 117 ALA N 1 117 ALA CA 1 117 ALA C -136.20 -74.80 -97.23 -116.12 -81.16 . . 0 "[ . 1 . 2]"
180 . 1 117 ALA N 1 117 ALA CA 1 117 ALA C 1 118 SER N 93.40 172.40 100.27 104.85 103.35 1.10 7 0 "[ . 1 . 2]"
181 . 1 117 ALA C 1 118 SER N 1 118 SER CA 1 118 SER C -151.80 -46.80 -139.33 -152.00 -132.02 0.20 10 0 "[ . 1 . 2]"
182 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 GLY N 91.80 -179.40 130.46 135.12 132.23 . . 0 "[ . 1 . 2]"
183 . 1 119 GLY C 1 120 TRP N 1 120 TRP CA 1 120 TRP C -173.80 -71.40 -82.69 -91.45 -73.84 . . 0 "[ . 1 . 2]"
184 . 1 120 TRP N 1 120 TRP CA 1 120 TRP C 1 121 TYR N 112.90 172.90 133.23 122.68 164.86 . . 0 "[ . 1 . 2]"
185 . 1 120 TRP C 1 121 TYR N 1 121 TYR CA 1 121 TYR C -158.50 -93.50 -130.56 -137.18 -148.54 . . 0 "[ . 1 . 2]"
186 . 1 121 TYR N 1 121 TYR CA 1 121 TYR C 1 122 LYS N 127.10 179.30 141.76 126.57 153.82 0.53 13 0 "[ . 1 . 2]"
187 . 1 124 LEU C 1 125 ASN N 1 125 ASN CA 1 125 ASN C -167.50 -27.50 -72.09 -80.76 -66.84 . . 0 "[ . 1 . 2]"
188 . 1 125 ASN N 1 125 ASN CA 1 125 ASN C 1 126 GLN N 146.30 -173.70 172.96 175.15 173.63 . . 0 "[ . 1 . 2]"
189 . 1 125 ASN C 1 126 GLN N 1 126 GLN CA 1 126 GLN C -78.40 -38.40 -58.23 -67.65 -42.52 . . 0 "[ . 1 . 2]"
190 . 1 126 GLN N 1 126 GLN CA 1 126 GLN C 1 127 GLU N -56.10 -16.10 -47.40 -42.43 -42.53 0.77 18 0 "[ . 1 . 2]"
191 . 1 126 GLN C 1 127 GLU N 1 127 GLU CA 1 127 GLU C -84.00 -44.00 -64.71 -72.52 -57.13 . . 0 "[ . 1 . 2]"
192 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 GLU N -58.70 -14.50 -47.99 -42.91 -43.32 . . 0 "[ . 1 . 2]"
193 . 1 127 GLU C 1 128 GLU N 1 128 GLU CA 1 128 GLU C -90.90 -50.90 -65.61 -71.24 -74.81 . . 0 "[ . 1 . 2]"
194 . 1 128 GLU N 1 128 GLU CA 1 128 GLU C 1 129 GLY N -63.10 -23.10 -39.36 -48.76 -26.80 . . 0 "[ . 1 . 2]"
195 . 1 128 GLU C 1 129 GLY N 1 129 GLY CA 1 129 GLY C -83.60 -43.60 -69.15 -66.72 -68.80 . . 0 "[ . 1 . 2]"
196 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 GLU N -52.90 -7.50 -17.83 -41.72 -4.85 2.65 5 0 "[ . 1 . 2]"
197 . 1 129 GLY C 1 130 GLU N 1 130 GLU CA 1 130 GLU C -97.40 -51.20 -86.43 -95.07 -98.79 3.20 1 0 "[ . 1 . 2]"
198 . 1 130 GLU N 1 130 GLU CA 1 130 GLU C 1 131 TYR N -49.90 -9.90 -16.09 -33.85 -6.75 3.15 7 0 "[ . 1 . 2]"
199 . 1 130 GLU C 1 131 TYR N 1 131 TYR CA 1 131 TYR C -119.90 -74.50 -115.30 -123.56 -86.08 3.66 16 0 "[ . 1 . 2]"
200 . 1 131 TYR N 1 131 TYR CA 1 131 TYR C 1 132 TYR N -56.50 29.90 -38.21 -49.18 -54.32 0.77 1 0 "[ . 1 . 2]"
201 . 1 131 TYR C 1 132 TYR N 1 132 TYR CA 1 132 TYR C -165.20 -83.40 -125.94 -162.81 -88.68 . . 0 "[ . 1 . 2]"
202 . 1 132 TYR N 1 132 TYR CA 1 132 TYR C 1 133 ASN N 146.20 -173.80 172.80 166.58 163.21 1.04 11 0 "[ . 1 . 2]"
203 . 1 132 TYR C 1 133 ASN N 1 133 ASN CA 1 133 ASN C -165.30 -113.50 -147.27 -162.11 -126.54 . . 0 "[ . 1 . 2]"
204 . 1 133 ASN N 1 133 ASN CA 1 133 ASN C 1 134 VAL N 116.80 -177.00 142.00 138.47 126.57 1.88 1 0 "[ . 1 . 2]"
205 . 1 133 ASN C 1 134 VAL N 1 134 VAL CA 1 134 VAL C -169.00 -76.40 -126.47 -123.33 -128.59 . . 0 "[ . 1 . 2]"
206 . 1 134 VAL N 1 134 VAL CA 1 134 VAL C 1 135 PRO N 69.70 168.90 106.63 94.70 85.72 . . 0 "[ . 1 . 2]"
207 . 1 134 VAL C 1 135 PRO N 1 135 PRO CA 1 135 PRO C -90.20 -48.60 -74.15 -74.79 -75.15 . . 0 "[ . 1 . 2]"
208 . 1 135 PRO N 1 135 PRO CA 1 135 PRO C 1 136 ILE N 123.80 165.40 147.77 123.39 166.50 1.10 20 0 "[ . 1 . 2]"
209 . 1 135 PRO C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -123.80 -53.60 -105.71 -109.47 -112.00 0.82 7 0 "[ . 1 . 2]"
210 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 PRO N 93.80 171.20 129.01 120.49 136.63 . . 0 "[ . 1 . 2]"
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