NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646526 |
6mie   |
30517 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_6mie
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 194
_TA_constraint_stats_list.Viol_count 188
_TA_constraint_stats_list.Viol_total 38371.00
_TA_constraint_stats_list.Viol_max 146.96
_TA_constraint_stats_list.Viol_rms 10.89
_TA_constraint_stats_list.Viol_average_all_restraints 1.98
_TA_constraint_stats_list.Viol_average_violations_only 20.41
_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 17 GLN C 1 18 GLY N 1 18 GLY CA 1 18 GLY C -83.80 -43.80 -58.32 -53.09 -55.12 . . 0 "[ . 1]"
2 . 1 18 GLY N 1 18 GLY CA 1 18 GLY C 1 19 ARG N -61.30 -21.30 -29.59 -36.83 -20.29 1.01 4 0 "[ . 1]"
3 . 1 18 GLY C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -87.00 -47.00 -68.83 -70.11 -72.26 . . 0 "[ . 1]"
4 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 VAL N -60.10 -20.10 -41.84 -48.85 -36.07 . . 0 "[ . 1]"
5 . 1 19 ARG C 1 20 VAL N 1 20 VAL CA 1 20 VAL C -85.30 -45.30 -56.89 -60.51 -53.39 . . 0 "[ . 1]"
6 . 1 20 VAL N 1 20 VAL CA 1 20 VAL C 1 21 TYR N -60.60 -20.60 -52.21 -57.36 -43.53 . . 0 "[ . 1]"
7 . 1 20 VAL C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -87.70 -47.70 -64.08 -62.52 -66.32 . . 0 "[ . 1]"
8 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 ASN N -55.50 -15.50 -41.45 -56.60 -9.64 5.86 1 1 "[+ . 1]"
9 . 1 21 TYR C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -84.70 -44.70 -66.71 -67.68 -84.80 0.26 1 0 "[ . 1]"
10 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 PHE N -59.10 -19.10 -27.83 -36.86 -46.22 . . 0 "[ . 1]"
11 . 1 22 ASN C 1 23 PHE N 1 23 PHE CA 1 23 PHE C -85.30 -45.30 -76.12 -83.06 -66.65 . . 0 "[ . 1]"
12 . 1 23 PHE N 1 23 PHE CA 1 23 PHE C 1 24 LEU N -59.60 -19.60 -38.75 -36.45 -40.99 . . 0 "[ . 1]"
13 . 1 25 GLU C 1 26 ARG N 1 26 ARG CA 1 26 ARG C -90.80 -50.80 -93.90 -116.95 -75.81 26.15 3 4 "[ *+*. -]"
14 . 1 26 ARG N 1 26 ARG CA 1 26 ARG C 1 27 PRO N 114.20 157.80 126.87 92.20 161.69 22.00 2 3 "[ + - *]"
15 . 1 29 GLY C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -83.60 -43.60 -76.49 -124.82 -64.66 41.22 6 1 "[ .+ 1]"
16 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 LYS N -62.30 -22.30 -36.49 -39.07 -43.42 6.19 6 1 "[ .+ 1]"
17 . 1 30 TRP C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -84.10 -44.10 -59.79 -57.06 -58.82 . . 0 "[ . 1]"
18 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 CYS N -61.90 -21.90 -52.65 -69.56 -40.30 7.66 6 1 "[ .+ 1]"
19 . 1 31 LYS C 1 32 CYS N 1 32 CYS CA 1 32 CYS C -85.20 -45.20 -62.74 -71.69 -56.75 . . 0 "[ . 1]"
20 . 1 32 CYS N 1 32 CYS CA 1 32 CYS C 1 33 PHE N -58.50 -18.50 -40.93 -43.80 -48.50 . . 0 "[ . 1]"
21 . 1 32 CYS C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -83.90 -43.90 -58.87 -59.72 -60.55 . . 0 "[ . 1]"
22 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 VAL N -66.00 -26.00 -55.73 -67.52 -49.64 1.52 4 0 "[ . 1]"
23 . 1 33 PHE C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -83.70 -43.70 -79.57 -82.47 -84.27 3.61 1 0 "[ . 1]"
24 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 TYR N -62.70 -22.70 -42.68 -32.06 -38.26 . . 0 "[ . 1]"
25 . 1 34 VAL C 1 35 TYR N 1 35 TYR CA 1 35 TYR C -84.60 -44.60 -70.78 -64.77 -67.99 2.52 3 0 "[ . 1]"
26 . 1 35 TYR N 1 35 TYR CA 1 35 TYR C 1 36 HIS N -61.20 -21.20 -42.16 -36.77 -39.27 . . 0 "[ . 1]"
27 . 1 35 TYR C 1 36 HIS N 1 36 HIS CA 1 36 HIS C -85.40 -45.40 -73.54 -77.89 -80.30 . . 0 "[ . 1]"
28 . 1 36 HIS N 1 36 HIS CA 1 36 HIS C 1 37 PHE N -61.10 -21.10 -30.59 -43.11 -25.59 . . 0 "[ . 1]"
29 . 1 36 HIS C 1 37 PHE N 1 37 PHE CA 1 37 PHE C -83.80 -43.80 -69.34 -89.40 -57.61 5.60 9 1 "[ . +1]"
30 . 1 37 PHE N 1 37 PHE CA 1 37 PHE C 1 38 ALA N -64.30 -24.30 -40.58 -44.86 -49.40 . . 0 "[ . 1]"
31 . 1 37 PHE C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -82.30 -42.30 -55.35 -57.97 -51.30 . . 0 "[ . 1]"
32 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 VAL N -61.20 -21.20 -43.61 -40.24 -43.13 . . 0 "[ . 1]"
33 . 1 38 ALA C 1 39 VAL N 1 39 VAL CA 1 39 VAL C -82.20 -42.20 -63.82 -68.64 -58.28 . . 0 "[ . 1]"
34 . 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 PHE N -63.50 -23.50 -41.21 -41.98 -42.26 . . 0 "[ . 1]"
35 . 1 39 VAL C 1 40 PHE N 1 40 PHE CA 1 40 PHE C -84.00 -44.00 -61.95 -63.96 -66.50 . . 0 "[ . 1]"
36 . 1 40 PHE N 1 40 PHE CA 1 40 PHE C 1 41 LEU N -63.30 -23.30 -46.24 -41.93 -42.72 . . 0 "[ . 1]"
37 . 1 40 PHE C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -83.40 -43.40 -64.37 -73.72 -56.39 . . 0 "[ . 1]"
38 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 ILE N -61.00 -21.00 -44.48 -45.37 -47.84 . . 0 "[ . 1]"
39 . 1 41 LEU C 1 42 ILE N 1 42 ILE CA 1 42 ILE C -84.10 -44.10 -63.67 -69.62 -53.87 . . 0 "[ . 1]"
40 . 1 42 ILE N 1 42 ILE CA 1 42 ILE C 1 43 VAL N -63.20 -23.20 -43.49 -40.81 -43.12 . . 0 "[ . 1]"
41 . 1 42 ILE C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -83.10 -43.10 -65.36 -63.77 -63.95 . . 0 "[ . 1]"
42 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 LEU N -63.30 -23.30 -40.77 -45.46 -34.07 . . 0 "[ . 1]"
43 . 1 43 VAL C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -81.80 -41.80 -59.91 -54.67 -59.31 . . 0 "[ . 1]"
44 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 VAL N -63.70 -23.70 -48.87 -56.36 -43.69 . . 0 "[ . 1]"
45 . 1 44 LEU C 1 45 VAL N 1 45 VAL CA 1 45 VAL C -83.50 -43.50 -64.34 -75.90 -55.89 . . 0 "[ . 1]"
46 . 1 45 VAL N 1 45 VAL CA 1 45 VAL C 1 46 CYS N -62.90 -22.90 -44.45 -47.37 -53.25 . . 0 "[ . 1]"
47 . 1 45 VAL C 1 46 CYS N 1 46 CYS CA 1 46 CYS C -84.50 -44.50 -61.91 -71.53 -49.66 . . 0 "[ . 1]"
48 . 1 46 CYS N 1 46 CYS CA 1 46 CYS C 1 47 LEU N -58.80 -18.80 -42.03 -35.04 -35.58 . . 0 "[ . 1]"
49 . 1 46 CYS C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -82.50 -42.50 -76.25 -79.49 -81.08 . . 0 "[ . 1]"
50 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 ILE N -64.80 -24.80 -37.10 -37.51 -37.53 . . 0 "[ . 1]"
51 . 1 47 LEU C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -84.50 -44.50 -61.80 -59.91 -61.57 . . 0 "[ . 1]"
52 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 PHE N -62.10 -22.10 -46.25 -42.35 -44.44 . . 0 "[ . 1]"
53 . 1 48 ILE C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -85.00 -45.00 -63.41 -69.05 -57.81 . . 0 "[ . 1]"
54 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 SER N -58.70 -18.70 -34.53 -49.35 -25.78 . . 0 "[ . 1]"
55 . 1 49 PHE C 1 50 SER N 1 50 SER CA 1 50 SER C -87.00 -47.00 -56.68 -49.73 -55.41 . . 0 "[ . 1]"
56 . 1 50 SER N 1 50 SER CA 1 50 SER C 1 51 VAL N -56.80 -16.80 -41.61 -48.38 -31.10 . . 0 "[ . 1]"
57 . 1 50 SER C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -84.20 -44.20 -64.17 -79.28 -55.33 . . 0 "[ . 1]"
58 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 LEU N -64.50 -24.50 -35.31 -35.84 -39.53 8.46 10 1 "[ . +]"
59 . 1 51 VAL C 1 52 LEU N 1 52 LEU CA 1 52 LEU C -82.50 -42.50 -76.15 -89.84 -55.60 7.34 8 2 "[ . +-1]"
60 . 1 52 LEU N 1 52 LEU CA 1 52 LEU C 1 53 SER N -63.90 -23.90 -44.77 -44.81 -46.81 . . 0 "[ . 1]"
61 . 1 52 LEU C 1 53 SER N 1 53 SER CA 1 53 SER C -84.70 -44.70 -70.89 -90.17 -57.42 5.47 8 1 "[ . + 1]"
62 . 1 53 SER N 1 53 SER CA 1 53 SER C 1 54 THR N -58.90 -18.90 -28.86 -33.02 -37.59 6.49 9 1 "[ . +1]"
63 . 1 53 SER C 1 54 THR N 1 54 THR CA 1 54 THR C -87.90 -47.90 -75.69 -75.27 -76.77 21.54 5 1 "[ + 1]"
64 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 ILE N -61.20 -21.20 -21.58 -47.52 1.70 22.90 1 4 "[+-* * 1]"
65 . 1 54 THR C 1 55 ILE N 1 55 ILE CA 1 55 ILE C -84.60 -44.60 -80.58 -102.51 -113.26 28.66 1 4 "[+**-. 1]"
66 . 1 55 ILE N 1 55 ILE CA 1 55 ILE C 1 56 GLU N -60.30 -20.30 -35.96 -46.89 -9.13 11.17 8 1 "[ . + 1]"
67 . 1 55 ILE C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -83.60 -43.60 -65.25 -55.21 -55.55 . . 0 "[ . 1]"
68 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 GLN N -61.00 -21.00 -26.98 -41.04 -4.05 16.95 5 2 "[ +- 1]"
69 . 1 56 GLU C 1 57 GLN N 1 57 GLN CA 1 57 GLN C -86.90 -46.90 -64.69 -74.26 -58.88 . . 0 "[ . 1]"
70 . 1 57 GLN N 1 57 GLN CA 1 57 GLN C 1 58 TYR N -60.80 -20.80 -33.16 -21.69 -22.09 . . 0 "[ . 1]"
71 . 1 57 GLN C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -86.40 -46.40 -77.78 -79.98 -87.90 7.02 1 1 "[+ . 1]"
72 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 ALA N -59.40 -19.40 -29.16 -26.93 -28.53 16.57 6 1 "[ .+ 1]"
73 . 1 58 TYR C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -86.40 -46.40 -67.95 -90.65 -57.91 4.25 6 0 "[ . 1]"
74 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ALA N -58.10 -18.10 -36.47 -30.09 -33.47 . . 0 "[ . 1]"
75 . 1 59 ALA C 1 60 ALA N 1 60 ALA CA 1 60 ALA C -87.10 -47.10 -60.13 -58.23 -60.31 . . 0 "[ . 1]"
76 . 1 60 ALA N 1 60 ALA CA 1 60 ALA C 1 61 LEU N -57.60 -17.60 -17.28 -28.67 -6.55 11.05 1 3 "[+ . -*]"
77 . 1 60 ALA C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -87.60 -47.60 -69.48 -70.78 -83.86 . . 0 "[ . 1]"
78 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 ALA N -60.50 -20.50 -24.60 -48.14 -4.49 16.01 6 4 "[- .+ **]"
79 . 1 61 LEU C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -85.50 -45.50 -126.56 -125.11 -132.25 67.06 9 8 "[****-* +*]"
80 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 THR N -59.00 -19.00 -43.76 -51.91 -35.17 . . 0 "[ . 1]"
81 . 1 70 GLU C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -84.20 -44.20 -60.24 -59.82 -64.12 . . 0 "[ . 1]"
82 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 VAL N -62.30 -22.30 -38.65 -43.22 -34.51 . . 0 "[ . 1]"
83 . 1 71 ILE C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -82.80 -42.80 -59.76 -62.41 -55.43 . . 0 "[ . 1]"
84 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 LEU N -59.00 -19.00 -47.89 -53.00 -42.85 . . 0 "[ . 1]"
85 . 1 72 VAL C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -86.90 -46.90 -70.24 -68.18 -69.98 . . 0 "[ . 1]"
86 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 VAL N -55.50 -15.50 -34.57 -26.55 -28.38 . . 0 "[ . 1]"
87 . 1 73 LEU C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -86.20 -46.20 -61.05 -64.49 -58.17 . . 0 "[ . 1]"
88 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 VAL N -51.40 -11.40 -37.47 -36.77 -38.17 . . 0 "[ . 1]"
89 . 1 78 GLY C 1 79 THR N 1 79 THR CA 1 79 THR C -84.90 -44.90 -67.73 -62.05 -63.14 . . 0 "[ . 1]"
90 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 GLU N -59.70 -19.70 -37.43 -40.58 -43.39 . . 0 "[ . 1]"
91 . 1 79 THR C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -85.30 -45.30 -61.70 -60.41 -61.75 . . 0 "[ . 1]"
92 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 TYR N -59.90 -19.90 -41.65 -50.20 -33.01 . . 0 "[ . 1]"
93 . 1 80 GLU C 1 81 TYR N 1 81 TYR CA 1 81 TYR C -85.10 -45.10 -58.13 -71.12 -51.66 . . 0 "[ . 1]"
94 . 1 81 TYR N 1 81 TYR CA 1 81 TYR C 1 82 VAL N -62.60 -22.60 -46.16 -43.16 -45.67 . . 0 "[ . 1]"
95 . 1 81 TYR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -82.80 -42.80 -69.36 -73.64 -66.04 . . 0 "[ . 1]"
96 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 VAL N -64.90 -24.90 -36.03 -41.89 -30.82 . . 0 "[ . 1]"
97 . 1 82 VAL C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -81.90 -41.90 -62.62 -58.84 -60.62 . . 0 "[ . 1]"
98 . 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ARG N -62.20 -22.20 -35.82 -37.23 -37.79 . . 0 "[ . 1]"
99 . 1 83 VAL C 1 84 ARG N 1 84 ARG CA 1 84 ARG C -85.40 -45.40 -61.26 -60.94 -62.47 . . 0 "[ . 1]"
100 . 1 84 ARG N 1 84 ARG CA 1 84 ARG C 1 85 LEU N -61.50 -21.50 -38.76 -46.78 -20.10 1.40 8 0 "[ . 1]"
101 . 1 84 ARG C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -86.00 -46.00 -70.22 -77.73 -62.89 . . 0 "[ . 1]"
102 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 TRP N -63.90 -23.90 -34.84 -25.24 -32.23 0.48 2 0 "[ . 1]"
103 . 1 85 LEU C 1 86 TRP N 1 86 TRP CA 1 86 TRP C -83.90 -43.90 -69.06 -82.03 -61.91 . . 0 "[ . 1]"
104 . 1 86 TRP N 1 86 TRP CA 1 86 TRP C 1 87 SER N -61.40 -21.40 -35.35 -13.57 -26.58 7.83 2 1 "[ + . 1]"
105 . 1 86 TRP C 1 87 SER N 1 87 SER CA 1 87 SER C -84.40 -44.40 -67.44 -62.34 -65.49 . . 0 "[ . 1]"
106 . 1 87 SER N 1 87 SER CA 1 87 SER C 1 88 ALA N -59.30 -19.30 -16.56 -38.49 13.53 32.83 1 4 "[+ * - * 1]"
107 . 1 87 SER C 1 88 ALA N 1 88 ALA CA 1 88 ALA C -86.10 -46.10 -60.41 -70.77 -47.90 . . 0 "[ . 1]"
108 . 1 88 ALA N 1 88 ALA CA 1 88 ALA C 1 89 GLY N -59.40 -19.40 -20.28 -26.62 -37.69 18.94 6 3 "[ .+ - *]"
109 . 1 92 SER C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -88.00 -48.00 -51.28 -62.67 -74.31 95.01 4 1 "[ +. 1]"
110 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 TYR N -58.60 -18.60 -27.12 -59.55 -0.52 18.08 1 2 "[+ . - 1]"
111 . 1 93 LYS C 1 94 TYR N 1 94 TYR CA 1 94 TYR C -87.00 -47.00 -109.73 -120.35 -93.84 33.35 2 10 [*+*-******]
112 . 1 94 TYR N 1 94 TYR CA 1 94 TYR C 1 95 VAL N -59.10 -19.10 -34.18 -38.91 -43.37 . . 0 "[ . 1]"
113 . 1 94 TYR C 1 95 VAL N 1 95 VAL CA 1 95 VAL C -84.20 -44.20 -62.67 -56.44 -60.19 . . 0 "[ . 1]"
114 . 1 95 VAL N 1 95 VAL CA 1 95 VAL C 1 96 GLY N -56.90 -16.90 -62.05 -62.00 -68.08 16.52 1 4 "[+ * . - *1]"
115 . 1 96 GLY C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -86.10 -46.10 -55.30 -66.94 -51.07 . . 0 "[ . 1]"
116 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 TRP N -62.40 -22.40 -42.88 -52.30 -33.21 . . 0 "[ . 1]"
117 . 1 97 LEU C 1 98 TRP N 1 98 TRP CA 1 98 TRP C -85.80 -45.80 -74.13 -75.40 -76.30 0.33 6 0 "[ . 1]"
118 . 1 98 TRP N 1 98 TRP CA 1 98 TRP C 1 99 GLY N -58.70 -18.70 -40.69 -46.36 -50.31 0.49 10 0 "[ . 1]"
119 . 1 105 ARG C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -88.20 -48.20 -66.33 -61.89 -64.97 . . 0 "[ . 1]"
120 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 PRO N 126.20 167.60 151.17 141.45 164.70 . . 0 "[ . 1]"
121 . 1 107 PRO C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -85.80 -45.80 -66.06 -64.15 -66.67 . . 0 "[ . 1]"
122 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 SER N -58.00 -18.00 -32.81 -41.12 -18.54 . . 0 "[ . 1]"
123 . 1 108 ILE C 1 109 SER N 1 109 SER CA 1 109 SER C -87.20 -47.20 -76.22 -68.45 -69.07 2.24 8 0 "[ . 1]"
124 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ILE N -57.40 -17.40 -29.80 -31.56 -36.60 . . 0 "[ . 1]"
125 . 1 109 SER C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -86.00 -46.00 -70.13 -79.75 -60.96 . . 0 "[ . 1]"
126 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 ILE N -61.20 -21.20 -42.47 -42.13 -42.77 . . 0 "[ . 1]"
127 . 1 110 ILE C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -84.80 -44.80 -61.44 -60.10 -61.83 . . 0 "[ . 1]"
128 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 ASP N -57.50 -17.50 -40.37 -50.32 -30.08 . . 0 "[ . 1]"
129 . 1 111 ILE C 1 112 ASP N 1 112 ASP CA 1 112 ASP C -87.20 -47.20 -67.54 -59.18 -63.73 . . 0 "[ . 1]"
130 . 1 112 ASP N 1 112 ASP CA 1 112 ASP C 1 113 LEU N -56.40 -16.40 -39.46 -39.69 -43.05 . . 0 "[ . 1]"
131 . 1 112 ASP C 1 113 LEU N 1 113 LEU CA 1 113 LEU C -86.00 -46.00 -61.36 -64.21 -57.71 . . 0 "[ . 1]"
132 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C 1 114 ILE N -61.40 -21.40 -49.12 -52.96 -44.29 . . 0 "[ . 1]"
133 . 1 113 LEU C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -83.10 -43.10 -63.35 -69.43 -60.03 . . 0 "[ . 1]"
134 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 VAL N -64.50 -24.50 -41.68 -41.76 -43.39 . . 0 "[ . 1]"
135 . 1 114 ILE C 1 115 VAL N 1 115 VAL CA 1 115 VAL C -82.90 -42.90 -71.51 -78.92 -65.90 . . 0 "[ . 1]"
136 . 1 115 VAL N 1 115 VAL CA 1 115 VAL C 1 116 VAL N -63.00 -23.00 -34.87 -45.84 -22.65 0.35 4 0 "[ . 1]"
137 . 1 115 VAL C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -84.70 -44.70 -67.54 -65.38 -66.39 . . 0 "[ . 1]"
138 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 VAL N -64.50 -24.50 -34.20 -36.99 -39.01 . . 0 "[ . 1]"
139 . 1 116 VAL C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -84.40 -44.40 -74.79 -72.76 -74.25 . . 0 "[ . 1]"
140 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 ALA N -63.20 -23.20 -39.64 -46.12 -29.69 . . 0 "[ . 1]"
141 . 1 117 VAL C 1 118 ALA N 1 118 ALA CA 1 118 ALA C -84.00 -44.00 -56.76 -55.75 -57.39 . . 0 "[ . 1]"
142 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C 1 119 SER N -60.70 -20.70 -47.65 -42.79 -45.25 . . 0 "[ . 1]"
143 . 1 118 ALA C 1 119 SER N 1 119 SER CA 1 119 SER C -85.20 -45.20 -59.23 -62.95 -56.06 . . 0 "[ . 1]"
144 . 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 MET N -60.80 -20.80 -44.46 -50.28 -37.00 . . 0 "[ . 1]"
145 . 1 119 SER C 1 120 MET N 1 120 MET CA 1 120 MET C -84.50 -44.50 -66.10 -70.85 -71.67 . . 0 "[ . 1]"
146 . 1 120 MET N 1 120 MET CA 1 120 MET C 1 121 VAL N -62.80 -22.80 -46.67 -38.65 -41.03 . . 0 "[ . 1]"
147 . 1 120 MET C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -83.50 -43.50 -59.48 -60.39 -60.49 . . 0 "[ . 1]"
148 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 VAL N -63.10 -23.10 -44.02 -50.99 -36.43 . . 0 "[ . 1]"
149 . 1 121 VAL C 1 122 VAL N 1 122 VAL CA 1 122 VAL C -84.00 -44.00 -73.38 -84.67 -53.53 0.67 10 0 "[ . 1]"
150 . 1 122 VAL N 1 122 VAL CA 1 122 VAL C 1 123 LEU N -62.00 -22.00 -36.81 -34.65 -38.87 . . 0 "[ . 1]"
151 . 1 122 VAL C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -84.60 -44.60 -64.39 -84.87 -56.32 0.27 4 0 "[ . 1]"
152 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 CYS N -61.50 -21.50 -31.34 -23.81 -30.69 6.04 4 1 "[ +. 1]"
153 . 1 123 LEU C 1 124 CYS N 1 124 CYS CA 1 124 CYS C -84.90 -44.90 -79.12 -102.68 -63.05 17.78 4 1 "[ +. 1]"
154 . 1 124 CYS N 1 124 CYS CA 1 124 CYS C 1 125 VAL N -60.80 -20.80 -42.29 -56.25 -25.66 . . 0 "[ . 1]"
155 . 1 124 CYS C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -85.90 -45.90 -61.67 -60.73 -64.02 . . 0 "[ . 1]"
156 . 1 125 VAL N 1 125 VAL CA 1 125 VAL C 1 126 GLY N -58.10 -18.10 -28.60 -40.25 -11.72 6.38 7 1 "[ . + 1]"
157 . 1 128 LYS C 1 129 GLY N 1 129 GLY CA 1 129 GLY C -83.50 -43.50 -33.75 -97.76 69.50 113.00 1 5 "[+-* .* *]"
158 . 1 129 GLY N 1 129 GLY CA 1 129 GLY C 1 130 GLN N -63.30 -23.30 -176.48 -106.14 123.66 146.96 5 9 "[*** +***-*]"
159 . 1 129 GLY C 1 130 GLN N 1 130 GLN CA 1 130 GLN C -85.70 -45.70 -67.30 78.49 -53.43 124.19 2 2 "[ + -. 1]"
160 . 1 130 GLN N 1 130 GLN CA 1 130 GLN C 1 131 VAL N -62.80 -22.80 -10.76 -51.58 50.49 73.29 5 6 "[* **+* -]"
161 . 1 130 GLN C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -88.00 -48.00 -82.20 -150.76 -67.66 62.76 5 1 "[ + 1]"
162 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 PHE N -57.20 -17.20 -40.64 -51.30 -32.17 . . 0 "[ . 1]"
163 . 1 131 VAL C 1 132 PHE N 1 132 PHE CA 1 132 PHE C -88.20 -48.20 -53.70 -60.01 -47.28 0.92 4 0 "[ . 1]"
164 . 1 132 PHE N 1 132 PHE CA 1 132 PHE C 1 133 ALA N -59.00 -19.00 -45.52 -39.81 -45.91 . . 0 "[ . 1]"
165 . 1 132 PHE C 1 133 ALA N 1 133 ALA CA 1 133 ALA C -85.60 -45.60 -64.61 -60.66 -62.44 . . 0 "[ . 1]"
166 . 1 133 ALA N 1 133 ALA CA 1 133 ALA C 1 134 THR N -59.40 -19.40 -53.34 -59.89 -42.83 0.49 10 0 "[ . 1]"
167 . 1 133 ALA C 1 134 THR N 1 134 THR CA 1 134 THR C -84.30 -44.30 -62.11 -79.04 -52.97 . . 0 "[ . 1]"
168 . 1 134 THR N 1 134 THR CA 1 134 THR C 1 135 SER N -58.80 -18.80 -38.78 -55.30 -30.74 . . 0 "[ . 1]"
169 . 1 134 THR C 1 135 SER N 1 135 SER CA 1 135 SER C -85.80 -45.80 -69.48 -71.48 -74.29 . . 0 "[ . 1]"
170 . 1 135 SER N 1 135 SER CA 1 135 SER C 1 136 ALA N -59.60 -19.60 -46.71 -58.29 -34.18 . . 0 "[ . 1]"
171 . 1 135 SER C 1 136 ALA N 1 136 ALA CA 1 136 ALA C -87.10 -47.10 -57.54 -63.54 -52.87 . . 0 "[ . 1]"
172 . 1 136 ALA N 1 136 ALA CA 1 136 ALA C 1 137 ILE N -61.90 -21.90 -53.54 -62.98 -46.77 1.08 10 0 "[ . 1]"
173 . 1 136 ALA C 1 137 ILE N 1 137 ILE CA 1 137 ILE C -86.80 -46.80 -60.98 -63.52 -66.79 . . 0 "[ . 1]"
174 . 1 137 ILE N 1 137 ILE CA 1 137 ILE C 1 138 ARG N -57.10 -17.10 -78.35 -81.74 -82.95 27.75 4 10 [***+-*****]
175 . 1 137 ILE C 1 138 ARG N 1 138 ARG CA 1 138 ARG C -85.60 -45.60 -74.52 -76.74 -77.74 . . 0 "[ . 1]"
176 . 1 138 ARG N 1 138 ARG CA 1 138 ARG C 1 139 GLY N -57.30 -17.30 -22.00 -50.11 14.52 31.82 1 3 "[+ *- 1]"
177 . 1 138 ARG C 1 139 GLY N 1 139 GLY CA 1 139 GLY C -85.20 -45.20 -87.39 -95.26 -117.84 40.28 5 5 "[** *+ - 1]"
178 . 1 139 GLY N 1 139 GLY CA 1 139 GLY C 1 140 ILE N -58.90 -18.90 -55.49 -56.50 -59.58 10.55 5 1 "[ + 1]"
179 . 1 140 ILE C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -86.00 -46.00 -75.26 -66.72 -73.49 10.87 5 2 "[- + 1]"
180 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 PHE N -58.00 -18.00 -33.52 -35.01 -39.79 . . 0 "[ . 1]"
181 . 1 141 ARG C 1 142 PHE N 1 142 PHE CA 1 142 PHE C -84.40 -44.40 -61.91 -68.01 -54.69 . . 0 "[ . 1]"
182 . 1 142 PHE N 1 142 PHE CA 1 142 PHE C 1 143 LEU N -63.70 -23.70 -38.18 -46.60 -30.57 . . 0 "[ . 1]"
183 . 1 142 PHE C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -83.60 -43.60 -62.87 -65.07 -67.29 . . 0 "[ . 1]"
184 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 GLN N -59.30 -19.30 -32.10 -24.93 -30.30 . . 0 "[ . 1]"
185 . 1 143 LEU C 1 144 GLN N 1 144 GLN CA 1 144 GLN C -83.10 -43.10 -73.08 -82.84 -59.09 . . 0 "[ . 1]"
186 . 1 144 GLN N 1 144 GLN CA 1 144 GLN C 1 145 ILE N -60.50 -20.50 -41.18 -48.20 -34.71 . . 0 "[ . 1]"
187 . 1 144 GLN C 1 145 ILE N 1 145 ILE CA 1 145 ILE C -84.60 -44.60 -66.55 -59.73 -60.10 . . 0 "[ . 1]"
188 . 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 LEU N -64.10 -24.10 -16.31 -22.75 -26.71 21.85 8 5 "[ * -* + *]"
189 . 1 145 ILE C 1 146 LEU N 1 146 LEU CA 1 146 LEU C -84.10 -44.10 -74.76 -95.90 -58.70 11.80 3 1 "[ + . 1]"
190 . 1 146 LEU N 1 146 LEU CA 1 146 LEU C 1 147 ARG N -60.00 -20.00 -29.67 -45.02 -20.60 . . 0 "[ . 1]"
191 . 1 146 LEU C 1 147 ARG N 1 147 ARG CA 1 147 ARG C -89.20 -49.20 -71.39 -70.32 -73.08 . . 0 "[ . 1]"
192 . 1 147 ARG N 1 147 ARG CA 1 147 ARG C 1 148 MET N -58.60 -18.60 -23.84 -41.09 -11.35 7.25 9 2 "[ . -+1]"
193 . 1 147 ARG C 1 148 MET N 1 148 MET CA 1 148 MET C -87.60 -47.60 -41.40 -54.03 -24.76 22.84 4 4 "[ *+* - 1]"
194 . 1 148 MET N 1 148 MET CA 1 148 MET C 1 149 LEU N -52.90 -12.90 -28.61 -24.08 -29.03 . . 0 "[ . 1]"
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