NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555321 |
2lns   |
18178 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lns
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 179
_TA_constraint_stats_list.Viol_count 560
_TA_constraint_stats_list.Viol_total 79173.42
_TA_constraint_stats_list.Viol_max 112.26
_TA_constraint_stats_list.Viol_rms 12.00
_TA_constraint_stats_list.Viol_average_all_restraints 4.42
_TA_constraint_stats_list.Viol_average_violations_only 14.14
_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 6 PRO C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -127.97 -46.53 -115.59 -116.99 -121.07 . . 0 "[ . 1]"
2 . 1 7 GLN C 1 8 THR N 1 8 THR CA 1 8 THR C -170.63 -60.47 -53.14 -58.48 -43.13 17.34 1 6 "[+** - * *]"
3 . 1 8 THR C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -84.95 -44.11 -43.00 -41.92 -42.50 4.86 6 0 "[ . 1]"
4 . 1 9 LEU C 1 10 SER N 1 10 SER CA 1 10 SER C -123.13 -59.81 -67.26 -94.45 -55.96 3.85 3 0 "[ . 1]"
5 . 1 10 SER C 1 11 ARG N 1 11 ARG CA 1 11 ARG C 46.40 72.44 64.83 49.91 49.35 3.20 4 0 "[ . 1]"
6 . 1 12 GLY C 1 13 TRP N 1 13 TRP CA 1 13 TRP C -75.38 -47.58 -65.96 -61.07 -68.88 6.56 10 2 "[ . - +]"
7 . 1 14 GLY C 1 15 ASP N 1 15 ASP CA 1 15 ASP C -71.22 -54.34 -40.62 -68.83 -23.04 31.30 8 7 "[*-* .**+*1]"
8 . 1 18 ILE C 1 19 TRP N 1 19 TRP CA 1 19 TRP C -125.57 -75.65 -82.58 -84.51 -85.12 9.44 6 1 "[ .+ 1]"
9 . 1 19 TRP C 1 20 THR N 1 20 THR CA 1 20 THR C -141.42 -50.38 -66.61 -75.74 -54.70 . . 0 "[ . 1]"
10 . 1 22 THR C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -75.00 -55.00 -59.13 -63.96 -53.48 1.52 7 0 "[ . 1]"
11 . 1 23 TYR C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -74.00 -50.00 -28.60 -33.30 -24.24 25.76 3 10 [**+****-**]
12 . 1 24 GLU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -74.00 -62.00 -39.81 -41.85 -38.04 23.96 10 10 [****-****+]
13 . 1 25 GLU C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -77.00 -49.00 -54.44 -53.28 -53.93 . . 0 "[ . 1]"
14 . 1 26 ALA C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -87.00 -43.00 -63.99 -67.44 -56.96 . . 0 "[ . 1]"
15 . 1 27 LEU C 1 28 TYR N 1 28 TYR CA 1 28 TYR C -76.71 -51.99 -58.07 -54.14 -55.06 0.06 4 0 "[ . 1]"
16 . 1 28 TYR C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -73.32 -56.52 -52.21 -50.28 -53.24 10.09 9 5 "[ * ** - +1]"
17 . 1 29 LYS C 1 30 SER N 1 30 SER CA 1 30 SER C -71.10 -56.94 -60.05 -58.88 -62.84 11.67 4 3 "[ -+. *]"
18 . 1 30 SER C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -71.27 -51.71 -53.27 -50.49 -52.35 4.43 3 0 "[ . 1]"
19 . 1 31 LYS C 1 32 THR N 1 32 THR CA 1 32 THR C -98.40 -43.40 -54.11 -62.37 -42.95 0.45 3 0 "[ . 1]"
20 . 1 34 ASN C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -167.00 -87.00 -122.75 -130.78 -111.87 . . 0 "[ . 1]"
21 . 1 35 LYS C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -84.00 -40.00 -45.10 -43.57 -43.96 . . 0 "[ . 1]"
22 . 1 36 PRO C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -122.00 -78.00 -111.77 -115.52 -105.55 . . 0 "[ . 1]"
23 . 1 37 LEU C 1 38 MET N 1 38 MET CA 1 38 MET C -150.00 -94.00 -112.60 -110.92 -111.47 . . 0 "[ . 1]"
24 . 1 38 MET C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -132.00 -96.00 -142.51 -143.48 -141.58 11.48 9 10 [******-*+*]
25 . 1 39 ILE C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -132.00 -80.00 -81.45 -83.11 -79.67 0.33 10 0 "[ . 1]"
26 . 1 40 ILE C 1 41 HIS N 1 41 HIS CA 1 41 HIS C -121.00 -53.00 -68.19 -69.49 -69.88 . . 0 "[ . 1]"
27 . 1 41 HIS C 1 42 HIS N 1 42 HIS CA 1 42 HIS C 178.00 -74.00 -139.06 -141.14 -135.86 . . 0 "[ . 1]"
28 . 1 42 HIS C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -159.00 -55.00 -147.73 -147.11 -148.49 . . 0 "[ . 1]"
29 . 1 44 ASP C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -100.00 -68.00 -53.81 -53.69 -53.77 17.99 3 10 [**+***-***]
30 . 1 45 GLU C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -145.00 -45.00 -100.00 -93.83 -96.00 . . 0 "[ . 1]"
31 . 1 48 HIS C 1 49 SER N 1 49 SER CA 1 49 SER C -76.00 -48.00 -51.65 -50.34 -50.82 . . 0 "[ . 1]"
32 . 1 49 SER C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -73.00 -49.00 -47.61 -46.05 -47.03 5.41 9 1 "[ . +1]"
33 . 1 50 GLN C 1 51 ALA N 1 51 ALA CA 1 51 ALA C -77.00 -53.00 -67.49 -70.05 -63.81 . . 0 "[ . 1]"
34 . 1 51 ALA C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -72.00 -60.00 -57.27 -58.81 -53.17 6.83 3 1 "[ + . 1]"
35 . 1 52 LEU C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -72.00 -48.00 -53.93 -54.75 -53.18 . . 0 "[ . 1]"
36 . 1 53 LYS C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -76.00 -48.00 -68.45 -84.73 -65.65 8.73 3 1 "[ + . 1]"
37 . 1 54 LYS C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -94.00 -50.00 -58.21 -59.29 -59.77 . . 0 "[ . 1]"
38 . 1 55 VAL C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -86.00 -50.00 -47.09 -46.71 -46.79 3.41 4 0 "[ . 1]"
39 . 1 56 PHE C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -76.00 -52.00 -66.29 -66.29 -66.56 . . 0 "[ . 1]"
40 . 1 57 ALA C 1 58 GLU N 1 58 GLU CA 1 58 GLU C -115.00 -83.00 -90.25 -91.43 -87.72 . . 0 "[ . 1]"
41 . 1 60 LYS C 1 61 GLU N 1 61 GLU CA 1 61 GLU C -75.00 -51.00 -56.97 -56.93 -57.26 . . 0 "[ . 1]"
42 . 1 61 GLU C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -72.00 -56.00 -53.44 -55.04 -52.05 3.95 7 0 "[ . 1]"
43 . 1 62 ILE C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -80.00 -44.00 -48.87 -54.89 -46.45 . . 0 "[ . 1]"
44 . 1 63 GLN C 1 64 LYS N 1 64 LYS CA 1 64 LYS C -82.00 -54.00 -37.69 -46.40 -34.96 19.04 7 10 [**-***+***]
45 . 1 64 LYS C 1 65 LEU N 1 65 LEU CA 1 65 LEU C -90.00 -54.00 -90.71 -90.32 -90.61 4.30 3 0 "[ . 1]"
46 . 1 65 LEU C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -77.00 -49.00 -73.58 -70.26 -70.80 12.78 3 1 "[ + . 1]"
47 . 1 66 ALA C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -97.00 -49.00 -88.41 -95.98 -84.57 . . 0 "[ . 1]"
48 . 1 67 GLU C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -123.00 -67.00 -93.00 -99.31 -84.37 . . 0 "[ . 1]"
49 . 1 69 PHE C 1 70 VAL N 1 70 VAL CA 1 70 VAL C -128.00 -44.00 -99.42 -107.44 -94.89 . . 0 "[ . 1]"
50 . 1 70 VAL C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -150.00 -74.00 -136.18 -133.29 -135.24 . . 0 "[ . 1]"
51 . 1 71 LEU C 1 72 LEU N 1 72 LEU CA 1 72 LEU C -149.00 -93.00 -144.57 -136.96 -138.98 8.06 3 1 "[ + . 1]"
52 . 1 72 LEU C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -144.00 -88.00 -131.51 -134.80 -122.64 . . 0 "[ . 1]"
53 . 1 73 ASN C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -156.00 -84.00 -130.07 -136.70 -117.16 . . 0 "[ . 1]"
54 . 1 75 VAL C 1 76 TYR N 1 76 TYR CA 1 76 TYR C -167.00 -51.00 -150.24 -148.10 -148.75 . . 0 "[ . 1]"
55 . 1 76 TYR C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -99.00 -55.00 -54.98 -63.79 -46.26 8.74 7 4 "[* - . +* 1]"
56 . 1 79 THR C 1 80 ASP N 1 80 ASP CA 1 80 ASP C -87.00 -55.00 -37.19 -38.19 -39.64 21.29 5 10 [-***+*****]
57 . 1 80 ASP C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -68.00 -48.00 -62.02 -64.17 -60.77 . . 0 "[ . 1]"
58 . 1 81 LYS C 1 82 HIS N 1 82 HIS CA 1 82 HIS C -83.00 -55.00 -104.62 -109.28 -101.28 26.28 8 10 [**-****+**]
59 . 1 82 HIS C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -103.00 -55.00 -82.40 -86.07 -79.91 . . 0 "[ . 1]"
60 . 1 84 SER C 1 85 PRO N 1 85 PRO CA 1 85 PRO C -69.00 -53.00 -53.25 -55.69 -50.30 2.70 6 0 "[ . 1]"
61 . 1 85 PRO C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -130.00 -70.00 -77.81 -75.95 -78.12 . . 0 "[ . 1]"
62 . 1 89 TYR C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -168.00 -88.00 -96.15 -101.64 -91.59 . . 0 "[ . 1]"
63 . 1 94 MET C 1 95 PHE N 1 95 PHE CA 1 95 PHE C -172.00 -80.00 -130.43 -131.03 -131.54 . . 0 "[ . 1]"
64 . 1 95 PHE C 1 96 VAL N 1 96 VAL CA 1 96 VAL C -143.00 -95.00 -138.03 -143.48 -134.31 0.48 9 0 "[ . 1]"
65 . 1 96 VAL C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -164.00 -68.00 -53.78 -55.63 -56.10 17.39 5 10 [-***+*****]
66 . 1 97 ASP C 1 98 PRO N 1 98 PRO CA 1 98 PRO C -69.00 -45.00 -45.21 -45.73 -47.17 3.85 8 0 "[ . 1]"
67 . 1 98 PRO C 1 99 SER N 1 99 SER CA 1 99 SER C -122.00 -30.00 -78.21 -86.70 -70.65 . . 0 "[ . 1]"
68 . 1 100 LEU C 1 101 THR N 1 101 THR CA 1 101 THR C -119.00 -55.00 -101.67 -98.42 -100.17 . . 0 "[ . 1]"
69 . 1 101 THR C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -108.00 -60.00 -65.99 -68.94 -61.63 . . 0 "[ . 1]"
70 . 1 103 ARG C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -80.00 -44.00 -57.49 -58.01 -58.10 . . 0 "[ . 1]"
71 . 1 104 ALA C 1 105 ASP N 1 105 ASP CA 1 105 ASP C -124.00 -72.00 -74.85 -77.66 -72.73 . . 0 "[ . 1]"
72 . 1 110 TYR C 1 111 SER N 1 111 SER CA 1 111 SER C -99.00 -39.00 -52.84 -57.39 -46.87 . . 0 "[ . 1]"
73 . 1 111 SER C 1 112 ASN N 1 112 ASN CA 1 112 ASN C -119.00 -75.00 -81.09 -96.87 -54.89 20.11 6 2 "[ -+ 1]"
74 . 1 113 ARG C 1 114 LEU N 1 114 LEU CA 1 114 LEU C -89.00 -53.00 -66.01 -72.72 -59.11 . . 0 "[ . 1]"
75 . 1 116 ALA C 1 117 TYR N 1 117 TYR CA 1 117 TYR C -173.00 -81.00 -50.22 -53.79 -47.64 33.36 8 10 [**-****+**]
76 . 1 117 TYR C 1 118 GLU N 1 118 GLU CA 1 118 GLU C -117.00 -69.00 -70.86 -70.52 -71.66 2.72 9 0 "[ . 1]"
77 . 1 118 GLU C 1 119 PRO N 1 119 PRO CA 1 119 PRO C -68.00 -40.00 -55.20 -55.49 -55.58 . . 0 "[ . 1]"
78 . 1 119 PRO C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -102.00 -50.00 -124.12 -125.70 -122.62 23.70 2 10 [*+*******-]
79 . 1 120 ALA C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -116.00 -44.00 -64.56 -72.12 -72.79 . . 0 "[ . 1]"
80 . 1 122 THR C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -73.00 -49.00 -46.21 -51.25 -51.95 16.54 6 3 "[ .+ *-]"
81 . 1 123 ALA C 1 124 LEU N 1 124 LEU CA 1 124 LEU C -68.00 -64.00 -69.23 -70.83 -67.04 2.83 2 0 "[ . 1]"
82 . 1 124 LEU C 1 125 LEU N 1 125 LEU CA 1 125 LEU C -76.00 -52.00 -48.96 -48.77 -48.94 4.21 9 0 "[ . 1]"
83 . 1 125 LEU C 1 126 LEU N 1 126 LEU CA 1 126 LEU C -74.00 -54.00 -67.62 -68.39 -67.04 . . 0 "[ . 1]"
84 . 1 126 LEU C 1 127 ASP N 1 127 ASP CA 1 127 ASP C -74.00 -54.00 -54.11 -55.58 -53.17 0.83 7 0 "[ . 1]"
85 . 1 127 ASP C 1 128 ASN N 1 128 ASN CA 1 128 ASN C -80.00 -52.00 -53.76 -55.97 -51.88 0.12 3 0 "[ . 1]"
86 . 1 128 ASN C 1 129 MET N 1 129 MET CA 1 129 MET C -77.00 -53.00 -51.31 -52.22 -50.28 2.72 10 0 "[ . 1]"
87 . 1 129 MET C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -72.00 -56.00 -56.10 -56.86 -55.36 0.64 6 0 "[ . 1]"
88 . 1 130 LYS C 1 131 LYS N 1 131 LYS CA 1 131 LYS C -73.00 -57.00 -88.93 -89.16 -89.33 16.80 3 10 [**+**-****]
89 . 1 131 LYS C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -78.00 -46.00 -66.91 -67.56 -67.59 . . 0 "[ . 1]"
90 . 1 132 ALA C 1 133 LEU N 1 133 LEU CA 1 133 LEU C -116.00 -76.00 -81.32 -81.20 -82.11 . . 0 "[ . 1]"
91 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 THR N 136.61 164.49 115.00 109.02 99.97 36.64 1 10 [+****-****]
92 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 LEU N 149.81 -161.87 112.22 108.01 116.74 41.80 9 10 [**-*****+*]
93 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 SER N -49.18 -1.46 -60.24 -59.05 -61.28 25.68 3 8 "[*-+*** * *]"
94 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 ARG N -12.30 34.70 -9.12 -10.37 -13.37 5.21 4 1 "[ +. 1]"
95 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 GLY N 7.96 52.56 -40.62 -76.42 11.61 84.38 6 8 "[ -***+* **]"
96 . 1 13 TRP N 1 13 TRP CA 1 13 TRP C 1 14 GLY N -65.15 -7.47 -56.15 -67.57 -75.56 10.41 1 1 "[+ . 1]"
97 . 1 15 ASP N 1 15 ASP CA 1 15 ASP C 1 16 GLN N -61.26 -3.42 -26.65 -38.03 -38.84 14.73 10 1 "[ . +]"
98 . 1 19 TRP N 1 19 TRP CA 1 19 TRP C 1 20 THR N 92.30 163.38 85.84 83.15 79.97 20.07 8 6 "[*- *.* + *]"
99 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 GLN N 94.96 174.16 155.13 143.56 163.73 . . 0 "[ . 1]"
100 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 GLU N -58.00 -14.00 -71.11 -70.01 -70.70 20.25 3 10 [**+****-**]
101 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 GLU N -52.00 -28.00 -66.33 -66.80 -68.25 17.73 7 10 [*-****+***]
102 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ALA N -49.00 -33.00 -49.39 -53.99 -46.78 4.99 6 0 "[ . 1]"
103 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 LEU N -53.00 -21.00 -46.25 -45.70 -47.06 . . 0 "[ . 1]"
104 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 TYR N -58.00 -22.00 -40.55 -40.81 -41.77 . . 0 "[ . 1]"
105 . 1 28 TYR N 1 28 TYR CA 1 28 TYR C 1 29 LYS N -55.47 -27.39 -61.54 -70.20 -51.89 14.73 4 6 "[-* +* * *]"
106 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 SER N -52.25 -30.21 -46.07 -56.21 -30.67 3.96 4 0 "[ . 1]"
107 . 1 30 SER N 1 30 SER CA 1 30 SER C 1 31 LYS N -44.51 -36.67 -46.27 -50.85 -35.49 6.34 2 3 "[*+ -. 1]"
108 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 THR N -54.53 -19.37 -41.54 -47.28 -36.05 . . 0 "[ . 1]"
109 . 1 32 THR N 1 32 THR CA 1 32 THR C 1 33 SER N -50.53 -3.73 -25.85 -64.33 1.11 13.80 3 1 "[ + . 1]"
110 . 1 35 LYS N 1 35 LYS CA 1 35 LYS C 1 36 PRO N 120.00 176.00 162.88 162.92 162.51 . . 0 "[ . 1]"
111 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 LEU N 122.00 166.00 141.19 143.92 143.68 . . 0 "[ . 1]"
112 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 MET N 95.00 139.00 127.31 125.62 125.41 . . 0 "[ . 1]"
113 . 1 38 MET N 1 38 MET CA 1 38 MET C 1 39 ILE N 93.00 165.00 126.09 126.05 125.41 . . 0 "[ . 1]"
114 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 ILE N 93.00 145.00 105.40 105.41 105.39 . . 0 "[ . 1]"
115 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 HIS N 88.00 148.00 90.42 88.36 91.95 . . 0 "[ . 1]"
116 . 1 41 HIS N 1 41 HIS CA 1 41 HIS C 1 42 HIS N 84.00 160.00 110.65 107.47 112.67 . . 0 "[ . 1]"
117 . 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 LEU N 143.00 -177.00 170.51 167.68 172.86 . . 0 "[ . 1]"
118 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 ASP N 122.00 -178.00 175.58 176.23 175.12 . . 0 "[ . 1]"
119 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 CYS N -33.00 23.00 -33.59 -54.85 -20.03 21.85 3 4 "[ *+*.- 1]"
120 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 PRO N 63.00 175.00 115.17 114.90 114.37 . . 0 "[ . 1]"
121 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 GLN N -53.00 -17.00 -46.20 -50.29 -35.97 . . 0 "[ . 1]"
122 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 ALA N -56.00 -24.00 -24.57 -25.09 -25.35 3.35 3 0 "[ . 1]"
123 . 1 51 ALA N 1 51 ALA CA 1 51 ALA C 1 52 LEU N -48.00 -24.00 -60.44 -59.05 -60.00 20.33 3 10 [**+*-*****]
124 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 LYS N -72.00 12.00 -42.23 -42.82 -42.99 . . 0 "[ . 1]"
125 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 VAL N -59.00 -15.00 -77.61 -82.35 -75.28 23.35 3 10 [**+***-***]
126 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 PHE N -54.00 -18.00 -25.04 -25.61 -24.21 . . 0 "[ . 1]"
127 . 1 56 PHE N 1 56 PHE CA 1 56 PHE C 1 57 ALA N -57.00 -13.00 -39.80 -40.97 -38.74 . . 0 "[ . 1]"
128 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 GLU N -57.00 -5.00 -33.35 -32.98 -33.03 . . 0 "[ . 1]"
129 . 1 60 LYS N 1 60 LYS CA 1 60 LYS C 1 61 GLU N -50.00 -18.00 -32.16 -35.73 -30.58 . . 0 "[ . 1]"
130 . 1 61 GLU N 1 61 GLU CA 1 61 GLU C 1 62 ILE N -51.00 -23.00 -49.98 -51.68 -47.91 0.68 3 0 "[ . 1]"
131 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 GLN N -54.00 -38.00 -57.82 -58.97 -59.02 6.55 9 3 "[- .* +1]"
132 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 LYS N -64.00 -16.00 -59.67 -61.59 -62.25 . . 0 "[ . 1]"
133 . 1 64 LYS N 1 64 LYS CA 1 64 LYS C 1 65 LEU N -53.00 -25.00 -36.20 -36.68 -35.21 . . 0 "[ . 1]"
134 . 1 65 LEU N 1 65 LEU CA 1 65 LEU C 1 66 ALA N -46.00 -6.00 -30.43 -34.68 -8.97 . . 0 "[ . 1]"
135 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 GLU N -67.00 -3.00 -25.11 -26.11 -27.38 . . 0 "[ . 1]"
136 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 GLN N -47.00 -7.00 -35.28 -33.37 -34.66 . . 0 "[ . 1]"
137 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 PHE N -23.00 29.00 17.82 13.68 36.11 7.11 3 1 "[ + . 1]"
138 . 1 70 VAL N 1 70 VAL CA 1 70 VAL C 1 71 LEU N 104.00 156.00 157.17 152.04 163.42 7.42 3 1 "[ + . 1]"
139 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 LEU N 113.00 161.00 147.48 140.64 159.56 . . 0 "[ . 1]"
140 . 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 ASN N 113.00 153.00 138.73 142.45 140.53 . . 0 "[ . 1]"
141 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 LEU N 108.00 156.00 104.41 103.63 102.12 11.89 7 3 "[- * + 1]"
142 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 VAL N 132.00 180.00 110.33 106.74 111.82 25.26 6 10 [****-+****]
143 . 1 76 TYR N 1 76 TYR CA 1 76 TYR C 1 77 GLU N 111.00 159.00 147.14 145.46 142.73 . . 0 "[ . 1]"
144 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 THR N 101.00 165.00 110.50 92.53 120.10 8.47 5 1 "[ + 1]"
145 . 1 80 ASP N 1 80 ASP CA 1 80 ASP C 1 81 LYS N 86.00 166.00 142.48 138.60 144.59 . . 0 "[ . 1]"
146 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 HIS N -52.00 -8.00 10.33 10.78 9.92 21.98 8 10 [**-****+**]
147 . 1 82 HIS N 1 82 HIS CA 1 82 HIS C 1 83 LEU N -44.00 4.00 -19.06 -21.51 -15.45 . . 0 "[ . 1]"
148 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 SER N -33.00 11.00 -32.09 -35.41 -28.32 2.41 9 0 "[ . 1]"
149 . 1 85 PRO N 1 85 PRO CA 1 85 PRO C 1 86 ASP N -38.00 -14.00 -88.67 -92.55 -84.87 54.55 9 10 [******-*+*]
150 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 GLY N -10.00 38.00 1.67 -1.79 3.89 . . 0 "[ . 1]"
151 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 PRO N 118.00 -174.00 -66.93 -67.11 -67.20 112.26 6 10 [*****+-***]
152 . 1 95 PHE N 1 95 PHE CA 1 95 PHE C 1 96 VAL N 105.00 -179.00 160.10 161.08 159.80 . . 0 "[ . 1]"
153 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 PRO N 87.00 179.00 159.57 156.34 161.51 . . 0 "[ . 1]"
154 . 1 98 PRO N 1 98 PRO CA 1 98 PRO C 1 99 SER N -48.00 -8.00 -28.70 -37.10 -19.67 . . 0 "[ . 1]"
155 . 1 99 SER N 1 99 SER CA 1 99 SER C 1 100 LEU N -73.00 15.00 7.13 9.56 7.31 . . 0 "[ . 1]"
156 . 1 101 THR N 1 101 THR CA 1 101 THR C 1 102 VAL N 123.00 151.00 117.81 117.64 116.51 7.78 8 5 "[* -** + 1]"
157 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 ARG N 96.00 152.00 77.86 74.59 83.22 21.41 9 10 [********+-]
158 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 ASP N -53.00 -9.00 -23.82 -22.56 -23.37 . . 0 "[ . 1]"
159 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C 1 106 ILE N -20.00 36.00 14.96 14.67 14.60 . . 0 "[ . 1]"
160 . 1 111 SER N 1 111 SER CA 1 111 SER C 1 112 ASN N -54.00 6.00 -21.59 -3.57 -4.77 . . 0 "[ . 1]"
161 . 1 112 ASN N 1 112 ASN CA 1 112 ASN C 1 113 ARG N -27.00 29.00 -5.93 -9.28 -0.59 . . 0 "[ . 1]"
162 . 1 114 LEU N 1 114 LEU CA 1 114 LEU C 1 115 TYR N -45.00 7.00 16.56 16.32 13.88 12.82 4 10 [-**+******]
163 . 1 117 TYR N 1 117 TYR CA 1 117 TYR C 1 118 GLU N 126.00 170.00 79.54 76.72 83.77 49.28 9 10 [******-*+*]
164 . 1 118 GLU N 1 118 GLU CA 1 118 GLU C 1 119 PRO N 64.00 -172.00 152.35 149.22 154.59 . . 0 "[ . 1]"
165 . 1 119 PRO N 1 119 PRO CA 1 119 PRO C 1 120 ALA N -48.00 -8.00 -17.63 -16.69 -17.36 . . 0 "[ . 1]"
166 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 ASP N -49.00 7.00 11.90 16.58 16.40 9.58 2 7 "[*+**- ** 1]"
167 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 THR N -43.00 -3.00 -10.29 -27.17 -2.70 0.30 1 0 "[ . 1]"
168 . 1 122 THR N 1 122 THR CA 1 122 THR C 1 123 ALA N -54.00 -22.00 -36.82 -57.63 -27.82 3.63 9 0 "[ . 1]"
169 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 LEU N -58.00 -30.00 -58.69 -57.45 -57.97 2.22 3 0 "[ . 1]"
170 . 1 124 LEU N 1 124 LEU CA 1 124 LEU C 1 125 LEU N -50.00 -38.00 -45.09 -47.62 -42.90 . . 0 "[ . 1]"
171 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C 1 126 LEU N -59.00 -27.00 -49.43 -50.20 -48.49 . . 0 "[ . 1]"
172 . 1 126 LEU N 1 126 LEU CA 1 126 LEU C 1 127 ASP N -55.00 -27.00 -50.99 -51.04 -51.08 . . 0 "[ . 1]"
173 . 1 127 ASP N 1 127 ASP CA 1 127 ASP C 1 128 ASN N -55.00 -27.00 -48.70 -48.86 -49.46 . . 0 "[ . 1]"
174 . 1 128 ASN N 1 128 ASN CA 1 128 ASN C 1 129 MET N -58.00 -22.00 -62.53 -62.48 -62.75 5.24 10 2 "[ - . +]"
175 . 1 129 MET N 1 129 MET CA 1 129 MET C 1 130 LYS N -59.00 -23.00 -53.57 -54.28 -52.53 . . 0 "[ . 1]"
176 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 LYS N -54.00 -30.00 -26.52 -27.73 -25.99 4.01 7 0 "[ . 1]"
177 . 1 131 LYS N 1 131 LYS CA 1 131 LYS C 1 132 ALA N -52.00 -28.00 -31.21 -30.84 -30.95 . . 0 "[ . 1]"
178 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 LEU N -62.00 -2.00 -39.60 -42.58 -37.68 . . 0 "[ . 1]"
179 . 1 133 LEU N 1 133 LEU CA 1 133 LEU C 1 134 LYS N -14.00 22.00 11.23 8.58 13.90 . . 0 "[ . 1]"
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