NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575741 |
2m0q   |
18817 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m0q
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 214
_TA_constraint_stats_list.Viol_count 403
_TA_constraint_stats_list.Viol_total 1933.47
_TA_constraint_stats_list.Viol_max 2.02
_TA_constraint_stats_list.Viol_rms 0.27
_TA_constraint_stats_list.Viol_average_all_restraints 0.09
_TA_constraint_stats_list.Viol_average_violations_only 0.48
_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 MET C 1 2 SER N 1 2 SER CA 1 2 SER C -140.18 -77.19 -105.33 -127.13 -78.60 . . 0 "[ . 1]"
2 . 1 2 SER C 1 3 THR N 1 3 THR CA 1 3 THR C -69.72 -49.72 -57.98 -69.76 -49.86 0.04 2 0 "[ . 1]"
3 . 1 3 THR C 1 4 LEU N 1 4 LEU CA 1 4 LEU C -73.16 -53.16 -59.62 -73.04 -53.37 . . 0 "[ . 1]"
4 . 1 4 LEU C 1 5 SER N 1 5 SER CA 1 5 SER C -77.58 -57.58 -66.77 -69.75 -74.32 0.09 8 0 "[ . 1]"
5 . 1 5 SER C 1 6 ASN N 1 6 ASN CA 1 6 ASN C -77.33 -57.33 -66.36 -62.99 -69.17 0.03 6 0 "[ . 1]"
6 . 1 6 ASN C 1 7 PHE N 1 7 PHE CA 1 7 PHE C -90.05 -56.39 -64.80 -64.09 -67.82 0.85 9 0 "[ . 1]"
7 . 1 7 PHE C 1 8 THR N 1 8 THR CA 1 8 THR C -72.64 -52.64 -59.79 -73.12 -52.09 0.56 9 0 "[ . 1]"
8 . 1 8 THR C 1 9 GLN N 1 9 GLN CA 1 9 GLN C -73.74 -53.74 -61.65 -73.14 -55.26 . . 0 "[ . 1]"
9 . 1 9 GLN C 1 10 THR N 1 10 THR CA 1 10 THR C -76.43 -56.43 -67.51 -64.03 -69.43 0.26 1 0 "[ . 1]"
10 . 1 10 THR C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -74.91 -54.91 -59.45 -63.03 -55.54 . . 0 "[ . 1]"
11 . 1 11 LEU C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -73.04 -53.04 -61.56 -58.99 -59.12 0.39 9 0 "[ . 1]"
12 . 1 12 GLU C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -73.52 -53.52 -62.16 -65.05 -67.89 0.09 10 0 "[ . 1]"
13 . 1 13 ASP C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -76.31 -56.31 -75.12 -74.58 -75.68 0.73 5 0 "[ . 1]"
14 . 1 14 VAL C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -72.36 -52.36 -63.74 -70.90 -57.59 . . 0 "[ . 1]"
15 . 1 15 PHE C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -72.51 -52.51 -66.18 -71.75 -55.62 . . 0 "[ . 1]"
16 . 1 16 ARG C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -76.36 -56.35 -72.56 -77.02 -63.75 0.66 5 0 "[ . 1]"
17 . 1 17 ARG C 1 18 ILE N 1 18 ILE CA 1 18 ILE C -75.30 -55.30 -65.49 -60.80 -63.44 . . 0 "[ . 1]"
18 . 1 18 ILE C 1 19 PHE N 1 19 PHE CA 1 19 PHE C -71.96 -51.96 -71.25 -72.05 -69.97 0.09 10 0 "[ . 1]"
19 . 1 19 PHE C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -73.23 -53.23 -63.67 -59.67 -61.88 . . 0 "[ . 1]"
20 . 1 20 ILE C 1 21 THR N 1 21 THR CA 1 21 THR C -73.73 -53.73 -74.41 -74.45 -74.58 1.08 4 0 "[ . 1]"
21 . 1 21 THR C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -74.49 -54.49 -64.65 -57.00 -60.36 . . 0 "[ . 1]"
22 . 1 22 TYR C 1 23 MET N 1 23 MET CA 1 23 MET C -74.24 -54.24 -63.39 -67.86 -69.78 . . 0 "[ . 1]"
23 . 1 23 MET C 1 24 ASP N 1 24 ASP CA 1 24 ASP C -76.13 -56.13 -67.04 -65.95 -72.53 0.48 5 0 "[ . 1]"
24 . 1 24 ASP C 1 25 ASN N 1 25 ASN CA 1 25 ASN C -72.77 -52.77 -61.69 -70.70 -52.65 0.12 7 0 "[ . 1]"
25 . 1 25 ASN C 1 26 TRP N 1 26 TRP CA 1 26 TRP C -73.63 -53.63 -58.79 -55.04 -56.49 0.16 2 0 "[ . 1]"
26 . 1 26 TRP C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -72.80 -52.80 -63.44 -59.45 -64.16 0.26 3 0 "[ . 1]"
27 . 1 27 ARG C 1 28 GLN N 1 28 GLN CA 1 28 GLN C -83.13 -57.99 -73.95 -77.32 -79.10 . . 0 "[ . 1]"
28 . 1 28 GLN C 1 29 ASN N 1 29 ASN CA 1 29 ASN C -95.22 -54.62 -71.16 -66.40 -75.33 0.05 2 0 "[ . 1]"
29 . 1 29 ASN C 1 30 THR N 1 30 THR CA 1 30 THR C -79.58 -56.36 -64.85 -62.33 -65.63 0.20 9 0 "[ . 1]"
30 . 1 30 THR C 1 31 THR N 1 31 THR CA 1 31 THR C -71.43 -51.43 -59.99 -71.06 -52.92 . . 0 "[ . 1]"
31 . 1 31 THR C 1 32 ALA N 1 32 ALA CA 1 32 ALA C -70.38 -50.38 -58.12 -69.84 -50.25 0.12 6 0 "[ . 1]"
32 . 1 32 ALA C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -74.06 -54.06 -63.72 -60.12 -65.44 0.20 7 0 "[ . 1]"
33 . 1 33 GLU C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -73.51 -53.51 -61.23 -64.19 -69.23 0.25 3 0 "[ . 1]"
34 . 1 34 GLN C 1 35 GLU N 1 35 GLU CA 1 35 GLU C -72.59 -52.59 -63.04 -72.85 -53.18 0.26 10 0 "[ . 1]"
35 . 1 35 GLU C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -73.33 -53.33 -60.02 -65.54 -73.36 0.73 6 0 "[ . 1]"
36 . 1 36 ALA C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -72.21 -52.21 -63.04 -60.05 -68.67 0.81 2 0 "[ . 1]"
37 . 1 37 LEU C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -73.38 -53.38 -63.70 -53.29 -53.44 0.09 2 0 "[ . 1]"
38 . 1 38 GLN C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -71.76 -51.76 -63.92 -72.24 -53.31 0.47 2 0 "[ . 1]"
39 . 1 39 ALA C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -101.63 -60.67 -83.32 -73.96 -81.66 . . 0 "[ . 1]"
40 . 1 42 ASP C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -74.33 -52.36 -63.87 -54.41 -66.16 0.29 10 0 "[ . 1]"
41 . 1 43 ALA C 1 44 GLU N 1 44 GLU CA 1 44 GLU C -75.73 -55.73 -65.41 -76.18 -57.67 0.45 6 0 "[ . 1]"
42 . 1 45 ASN C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -71.67 -51.67 -61.32 -64.24 -65.65 0.21 6 0 "[ . 1]"
43 . 1 46 PHE C 1 47 TYR N 1 47 TYR CA 1 47 TYR C -75.91 -55.91 -63.62 -72.18 -72.59 . . 0 "[ . 1]"
44 . 1 47 TYR C 1 48 TYR N 1 48 TYR CA 1 48 TYR C -76.04 -56.04 -64.89 -73.35 -57.30 . . 0 "[ . 1]"
45 . 1 48 TYR C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -78.78 -58.78 -68.06 -69.84 -74.40 0.07 1 0 "[ . 1]"
46 . 1 49 VAL C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -74.67 -54.67 -63.19 -64.77 -69.76 0.38 3 0 "[ . 1]"
47 . 1 50 ILE C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -74.11 -54.11 -67.38 -74.10 -60.00 . . 0 "[ . 1]"
48 . 1 51 LEU C 1 52 TYR N 1 52 TYR CA 1 52 TYR C -75.12 -55.12 -67.85 -74.41 -59.75 . . 0 "[ . 1]"
49 . 1 52 TYR C 1 53 LEU N 1 53 LEU CA 1 53 LEU C -72.95 -52.95 -63.71 -65.27 -69.25 1.21 6 0 "[ . 1]"
50 . 1 53 LEU C 1 54 MET N 1 54 MET CA 1 54 MET C -89.71 -51.17 -59.04 -65.26 -51.58 . . 0 "[ . 1]"
51 . 1 56 MET C 1 57 ILE N 1 57 ILE CA 1 57 ILE C -71.08 -51.08 -58.17 -61.00 -68.65 . . 0 "[ . 1]"
52 . 1 57 ILE C 1 58 GLY N 1 58 GLY CA 1 58 GLY C -74.68 -54.67 -59.82 -68.43 -53.90 0.77 1 0 "[ . 1]"
53 . 1 58 GLY C 1 59 MET N 1 59 MET CA 1 59 MET C -72.29 -52.29 -64.71 -68.98 -71.40 . . 0 "[ . 1]"
54 . 1 59 MET C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -74.17 -54.17 -61.98 -62.32 -63.88 0.12 6 0 "[ . 1]"
55 . 1 60 PHE C 1 61 SER N 1 61 SER CA 1 61 SER C -74.03 -54.03 -64.24 -62.37 -67.35 0.13 3 0 "[ . 1]"
56 . 1 61 SER C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -79.04 -59.03 -65.91 -78.53 -59.11 . . 0 "[ . 1]"
57 . 1 62 PHE C 1 63 ILE N 1 63 ILE CA 1 63 ILE C -74.86 -54.85 -63.41 -57.71 -60.33 0.68 5 0 "[ . 1]"
58 . 1 63 ILE C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -72.52 -52.10 -60.38 -70.67 -52.03 0.07 5 0 "[ . 1]"
59 . 1 64 ILE C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -70.78 -50.78 -66.38 -70.52 -70.99 0.54 8 0 "[ . 1]"
60 . 1 65 VAL C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -72.74 -52.74 -58.03 -71.75 -52.77 . . 0 "[ . 1]"
61 . 1 66 ALA C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -76.11 -56.10 -67.05 -67.91 -75.06 0.11 10 0 "[ . 1]"
62 . 1 67 ILE C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -72.15 -52.15 -60.34 -70.51 -54.84 . . 0 "[ . 1]"
63 . 1 68 LEU C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -75.64 -55.64 -63.06 -69.37 -73.68 . . 0 "[ . 1]"
64 . 1 69 VAL C 1 70 SER N 1 70 SER CA 1 70 SER C -70.44 -50.44 -69.85 -71.07 -67.90 0.63 10 0 "[ . 1]"
65 . 1 70 SER C 1 71 THR N 1 71 THR CA 1 71 THR C -76.56 -56.56 -64.99 -71.62 -73.80 . . 0 "[ . 1]"
66 . 1 71 THR C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -74.23 -54.23 -74.31 -75.38 -72.86 1.15 5 0 "[ . 1]"
67 . 1 72 VAL C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -69.65 -49.65 -67.81 -69.93 -64.36 0.28 7 0 "[ . 1]"
68 . 1 73 LYS C 1 74 SER N 1 74 SER CA 1 74 SER C -72.82 -52.82 -62.88 -52.71 -54.74 0.11 2 0 "[ . 1]"
69 . 1 74 SER C 1 75 LYS N 1 75 LYS CA 1 75 LYS C -75.79 -55.79 -65.87 -75.99 -55.32 0.47 7 0 "[ . 1]"
70 . 1 75 LYS C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -76.63 -56.13 -64.06 -70.21 -74.65 . . 0 "[ . 1]"
71 . 1 81 ASN C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -132.36 -88.96 -118.02 -126.33 -127.91 . . 0 "[ . 1]"
72 . 1 82 ASP C 1 83 PRO N 1 83 PRO CA 1 83 PRO C -75.26 -55.26 -68.21 -68.52 -71.17 . . 0 "[ . 1]"
73 . 1 83 PRO C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -130.47 -88.26 -102.79 -98.61 -101.05 . . 0 "[ . 1]"
74 . 1 85 HIS C 1 86 GLN N 1 86 GLN CA 1 86 GLN C -71.99 -51.99 -66.12 -72.33 -51.94 0.34 3 0 "[ . 1]"
75 . 1 86 GLN C 1 87 TYR N 1 87 TYR CA 1 87 TYR C -107.45 -69.01 -79.50 -73.44 -76.06 0.00 3 0 "[ . 1]"
76 . 1 87 TYR C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -73.47 -53.47 -61.69 -73.56 -52.71 0.76 9 0 "[ . 1]"
77 . 1 88 ILE C 1 89 VAL N 1 89 VAL CA 1 89 VAL C -79.76 -59.76 -70.13 -73.44 -77.24 0.07 1 0 "[ . 1]"
78 . 1 89 VAL C 1 90 GLU N 1 90 GLU CA 1 90 GLU C -79.76 -59.76 -72.01 -79.88 -59.45 0.31 9 0 "[ . 1]"
79 . 1 90 GLU C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -73.85 -53.85 -64.48 -73.90 -54.19 0.04 8 0 "[ . 1]"
80 . 1 91 ASP C 1 92 TRP N 1 92 TRP CA 1 92 TRP C -79.54 -59.54 -69.49 -79.65 -59.22 0.33 5 0 "[ . 1]"
81 . 1 92 TRP C 1 93 GLN N 1 93 GLN CA 1 93 GLN C -72.44 -52.44 -61.11 -57.61 -58.15 0.65 8 0 "[ . 1]"
82 . 1 93 GLN C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -75.01 -55.01 -74.81 -75.03 -75.33 0.87 8 0 "[ . 1]"
83 . 1 94 GLU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -75.21 -55.21 -72.88 -71.01 -74.38 0.39 7 0 "[ . 1]"
84 . 1 95 LYS C 1 96 TYR N 1 96 TYR CA 1 96 TYR C -78.97 -58.97 -68.56 -78.13 -58.95 0.03 8 0 "[ . 1]"
85 . 1 96 TYR C 1 97 LYS N 1 97 LYS CA 1 97 LYS C -74.26 -54.26 -66.59 -74.50 -55.23 0.24 3 0 "[ . 1]"
86 . 1 97 LYS C 1 98 SER N 1 98 SER CA 1 98 SER C -73.78 -53.78 -63.57 -53.87 -56.63 0.33 8 0 "[ . 1]"
87 . 1 98 SER C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -75.21 -55.21 -59.89 -56.27 -57.14 . . 0 "[ . 1]"
88 . 1 99 GLN C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -73.99 -53.99 -67.31 -75.80 -57.79 1.81 7 0 "[ . 1]"
89 . 1 100 ILE C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -71.23 -51.23 -60.71 -61.30 -65.17 . . 0 "[ . 1]"
90 . 1 101 LEU C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -74.05 -54.05 -62.69 -73.13 -52.22 1.84 7 0 "[ . 1]"
91 . 1 102 ASN C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -69.01 -49.01 -58.41 -52.22 -54.69 0.29 4 0 "[ . 1]"
92 . 1 103 LEU C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -71.06 -51.06 -60.99 -70.77 -50.82 0.23 10 0 "[ . 1]"
93 . 1 104 GLU C 1 105 GLU N 1 105 GLU CA 1 105 GLU C -75.48 -55.49 -63.27 -60.61 -64.78 0.13 6 0 "[ . 1]"
94 . 1 105 GLU C 1 106 SER N 1 106 SER CA 1 106 SER C -72.02 -52.02 -58.95 -52.55 -57.31 0.24 8 0 "[ . 1]"
95 . 1 106 SER C 1 107 LYS N 1 107 LYS CA 1 107 LYS C -73.13 -53.13 -58.97 -67.92 -54.43 . . 0 "[ . 1]"
96 . 1 107 LYS C 1 108 ALA N 1 108 ALA CA 1 108 ALA C -75.74 -55.74 -65.20 -75.58 -55.74 . . 0 "[ . 1]"
97 . 1 108 ALA C 1 109 THR N 1 109 THR CA 1 109 THR C -79.04 -59.04 -63.61 -64.31 -79.00 1.16 7 0 "[ . 1]"
98 . 1 109 THR C 1 110 ILE N 1 110 ILE CA 1 110 ILE C -74.24 -54.24 -63.04 -67.29 -71.56 0.07 8 0 "[ . 1]"
99 . 1 110 ILE C 1 111 HIS N 1 111 HIS CA 1 111 HIS C -75.10 -55.10 -64.36 -72.75 -58.66 . . 0 "[ . 1]"
100 . 1 111 HIS C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -78.04 -52.93 -66.42 -77.50 -57.68 . . 0 "[ . 1]"
101 . 1 112 GLU C 1 113 ASN N 1 113 ASN CA 1 113 ASN C -74.31 -54.31 -63.16 -74.32 -53.79 0.52 8 0 "[ . 1]"
102 . 1 113 ASN C 1 114 ILE N 1 114 ILE CA 1 114 ILE C -89.68 -51.15 -70.21 -84.30 -55.04 . . 0 "[ . 1]"
103 . 1 114 ILE C 1 115 GLY N 1 115 GLY CA 1 115 GLY C -76.95 -56.95 -65.76 -76.88 -56.84 0.11 10 0 "[ . 1]"
104 . 1 115 GLY C 1 116 ALA N 1 116 ALA CA 1 116 ALA C -79.36 -58.84 -67.54 -61.38 -63.99 0.30 4 0 "[ . 1]"
105 . 1 118 GLY C 1 119 PHE N 1 119 PHE CA 1 119 PHE C -153.20 -7.87 -148.25 -142.88 -146.64 0.21 9 0 "[ . 1]"
106 . 1 120 LYS C 1 121 MET N 1 121 MET CA 1 121 MET C -166.73 -30.61 -107.64 -152.12 -70.74 . . 0 "[ . 1]"
107 . 1 121 MET C 1 122 SER N 1 122 SER CA 1 122 SER C -83.73 -57.51 -74.49 -73.25 -77.55 . . 0 "[ . 1]"
108 . 1 2 SER N 1 2 SER CA 1 2 SER C 1 3 THR N 73.34 174.75 113.88 167.84 145.91 . . 0 "[ . 1]"
109 . 1 3 THR N 1 3 THR CA 1 3 THR C 1 4 LEU N -40.90 -18.20 -24.58 -18.94 -19.71 . . 0 "[ . 1]"
110 . 1 4 LEU N 1 4 LEU CA 1 4 LEU C 1 5 SER N -44.00 -34.03 -38.79 -44.08 -33.93 0.10 1 0 "[ . 1]"
111 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 ASN N -47.99 -32.90 -39.83 -46.86 -35.77 . . 0 "[ . 1]"
112 . 1 6 ASN N 1 6 ASN CA 1 6 ASN C 1 7 PHE N -48.95 -32.59 -35.53 -33.05 -33.82 0.82 9 0 "[ . 1]"
113 . 1 7 PHE N 1 7 PHE CA 1 7 PHE C 1 8 THR N -46.52 -26.13 -34.99 -33.23 -33.83 0.73 9 0 "[ . 1]"
114 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 GLN N -46.52 -32.47 -35.68 -40.47 -32.00 0.46 4 0 "[ . 1]"
115 . 1 9 GLN N 1 9 GLN CA 1 9 GLN C 1 10 THR N -48.33 -29.79 -37.84 -47.37 -29.79 . . 0 "[ . 1]"
116 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 LEU N -50.81 -33.08 -40.63 -33.73 -38.58 0.26 9 0 "[ . 1]"
117 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 GLU N -45.11 -36.65 -40.76 -38.93 -40.93 0.11 2 0 "[ . 1]"
118 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ASP N -44.89 -34.64 -39.04 -45.40 -35.62 0.51 2 0 "[ . 1]"
119 . 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 VAL N -46.29 -38.51 -38.02 -37.72 -37.84 1.36 8 0 "[ . 1]"
120 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 PHE N -47.03 -31.64 -46.34 -44.81 -45.83 0.58 8 0 "[ . 1]"
121 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 ARG N -40.39 -34.12 -33.26 -33.63 -33.02 1.10 1 0 "[ . 1]"
122 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 ARG N -48.86 -37.12 -42.80 -43.59 -44.39 . . 0 "[ . 1]"
123 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 ILE N -43.19 -34.54 -36.61 -42.72 -34.05 0.50 7 0 "[ . 1]"
124 . 1 18 ILE N 1 18 ILE CA 1 18 ILE C 1 19 PHE N -52.52 -34.03 -33.19 -33.73 -32.55 1.48 4 0 "[ . 1]"
125 . 1 19 PHE N 1 19 PHE CA 1 19 PHE C 1 20 ILE N -51.15 -28.18 -52.35 -51.61 -52.24 1.67 4 0 "[ . 1]"
126 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 THR N -44.30 -32.20 -38.74 -44.13 -36.83 . . 0 "[ . 1]"
127 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 TYR N -46.05 -39.29 -38.04 -38.36 -37.67 1.62 7 0 "[ . 1]"
128 . 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 MET N -52.58 -37.16 -50.63 -53.27 -41.92 0.69 5 0 "[ . 1]"
129 . 1 23 MET N 1 23 MET CA 1 23 MET C 1 24 ASP N -47.92 -28.01 -27.05 -27.49 -26.76 1.25 1 0 "[ . 1]"
130 . 1 24 ASP N 1 24 ASP CA 1 24 ASP C 1 25 ASN N -47.50 -34.54 -40.23 -43.46 -47.16 0.30 7 0 "[ . 1]"
131 . 1 25 ASN N 1 25 ASN CA 1 25 ASN C 1 26 TRP N -46.86 -35.56 -38.40 -43.38 -34.93 0.63 10 0 "[ . 1]"
132 . 1 26 TRP N 1 26 TRP CA 1 26 TRP C 1 27 ARG N -54.78 -30.82 -35.03 -30.56 -31.43 0.26 2 0 "[ . 1]"
133 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 GLN N -48.13 -23.55 -32.07 -42.95 -23.43 0.12 1 0 "[ . 1]"
134 . 1 28 GLN N 1 28 GLN CA 1 28 GLN C 1 29 ASN N -44.54 -17.14 -25.36 -28.07 -44.46 0.24 10 0 "[ . 1]"
135 . 1 29 ASN N 1 29 ASN CA 1 29 ASN C 1 30 THR N -49.45 -13.76 -23.69 -44.47 -14.30 . . 0 "[ . 1]"
136 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 THR N -50.66 -30.59 -39.13 -50.60 -30.70 . . 0 "[ . 1]"
137 . 1 31 THR N 1 31 THR CA 1 31 THR C 1 32 ALA N -50.56 -33.11 -38.53 -46.80 -32.88 0.23 6 0 "[ . 1]"
138 . 1 32 ALA N 1 32 ALA CA 1 32 ALA C 1 33 GLU N -47.77 -33.28 -36.21 -36.04 -38.07 0.16 7 0 "[ . 1]"
139 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 GLN N -47.65 -34.49 -41.06 -48.03 -34.80 0.39 10 0 "[ . 1]"
140 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 GLU N -43.78 -29.74 -39.23 -43.86 -32.67 0.09 2 0 "[ . 1]"
141 . 1 35 GLU N 1 35 GLU CA 1 35 GLU C 1 36 ALA N -49.85 -36.10 -40.80 -46.21 -35.39 0.71 6 0 "[ . 1]"
142 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 LEU N -41.98 -33.75 -36.40 -34.99 -36.33 1.03 2 0 "[ . 1]"
143 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 GLN N -50.67 -27.88 -45.34 -39.86 -42.36 0.35 4 0 "[ . 1]"
144 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 ALA N -48.10 -23.54 -27.48 -38.45 -23.17 0.37 4 0 "[ . 1]"
145 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 LYS N -46.41 -22.25 -30.13 -44.46 -21.41 0.84 10 0 "[ . 1]"
146 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 VAL N -44.90 7.55 -20.38 -2.67 -11.84 0.09 8 0 "[ . 1]"
147 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 GLU N -55.28 -8.30 -27.45 -46.53 -9.87 . . 0 "[ . 1]"
148 . 1 44 GLU N 1 44 GLU CA 1 44 GLU C 1 45 ASN N -50.25 -26.28 -39.09 -38.92 -45.17 0.28 3 0 "[ . 1]"
149 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 TYR N -49.09 -24.24 -30.74 -47.12 -24.14 0.10 7 0 "[ . 1]"
150 . 1 47 TYR N 1 47 TYR CA 1 47 TYR C 1 48 TYR N -53.14 -25.29 -33.47 -49.66 -25.21 0.08 5 0 "[ . 1]"
151 . 1 48 TYR N 1 48 TYR CA 1 48 TYR C 1 49 VAL N -44.86 -23.93 -36.43 -40.41 -40.96 . . 0 "[ . 1]"
152 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 ILE N -48.24 -31.30 -41.58 -47.63 -33.64 . . 0 "[ . 1]"
153 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 LEU N -44.50 -29.18 -36.62 -37.87 -42.56 0.26 1 0 "[ . 1]"
154 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 TYR N -45.79 -36.15 -41.15 -46.01 -35.86 0.29 1 0 "[ . 1]"
155 . 1 52 TYR N 1 52 TYR CA 1 52 TYR C 1 53 LEU N -44.82 -38.71 -40.57 -43.52 -37.23 1.49 6 0 "[ . 1]"
156 . 1 53 LEU N 1 53 LEU CA 1 53 LEU C 1 54 MET N -46.86 -36.67 -38.43 -42.71 -36.20 0.47 9 0 "[ . 1]"
157 . 1 54 MET N 1 54 MET CA 1 54 MET C 1 55 VAL N -51.30 -27.07 -41.57 -37.71 -40.73 0.05 3 0 "[ . 1]"
158 . 1 57 ILE N 1 57 ILE CA 1 57 ILE C 1 58 GLY N -43.11 -38.16 -40.79 -43.30 -37.30 0.86 1 0 "[ . 1]"
159 . 1 58 GLY N 1 58 GLY CA 1 58 GLY C 1 59 MET N -47.21 -35.66 -41.27 -40.08 -41.23 . . 0 "[ . 1]"
160 . 1 59 MET N 1 59 MET CA 1 59 MET C 1 60 PHE N -43.97 -37.96 -42.39 -44.24 -38.95 0.27 10 0 "[ . 1]"
161 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 SER N -47.42 -35.01 -41.07 -46.30 -36.51 . . 0 "[ . 1]"
162 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 PHE N -44.44 -33.02 -34.65 -33.63 -37.39 0.36 5 0 "[ . 1]"
163 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 ILE N -47.15 -33.86 -39.88 -38.28 -40.02 0.69 5 0 "[ . 1]"
164 . 1 63 ILE N 1 63 ILE CA 1 63 ILE C 1 64 ILE N -53.26 -37.35 -46.77 -47.68 -48.77 . . 0 "[ . 1]"
165 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 VAL N -54.61 -27.14 -42.48 -31.83 -37.20 0.33 5 0 "[ . 1]"
166 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ALA N -49.28 -30.79 -37.72 -46.79 -30.51 0.28 6 0 "[ . 1]"
167 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 ILE N -49.70 -33.54 -44.82 -38.78 -43.26 0.36 9 0 "[ . 1]"
168 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 LEU N -45.67 -35.19 -39.34 -45.55 -34.80 0.40 1 0 "[ . 1]"
169 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 VAL N -46.37 -38.00 -43.80 -45.66 -46.55 0.38 3 0 "[ . 1]"
170 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 SER N -46.75 -39.82 -39.51 -44.73 -38.67 1.15 4 0 "[ . 1]"
171 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 THR N -47.40 -26.93 -46.82 -48.24 -41.65 0.85 10 0 "[ . 1]"
172 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 VAL N -47.36 -32.51 -31.00 -30.50 -30.75 2.02 3 0 "[ . 1]"
173 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 LYS N -49.16 -37.99 -48.91 -49.87 -45.89 0.71 7 0 "[ . 1]"
174 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 SER N -42.80 -30.23 -29.47 -29.15 -29.35 1.09 2 0 "[ . 1]"
175 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 LYS N -47.49 -22.52 -32.41 -27.08 -31.41 0.53 7 0 "[ . 1]"
176 . 1 75 LYS N 1 75 LYS CA 1 75 LYS C 1 76 ARG N -51.58 -5.19 -27.30 -51.95 -7.03 0.38 5 0 "[ . 1]"
177 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 ARG N -53.39 -6.99 -25.16 -21.29 -26.47 0.05 6 0 "[ . 1]"
178 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 PRO N 121.44 150.63 145.02 146.50 144.01 . . 0 "[ . 1]"
179 . 1 83 PRO N 1 83 PRO CA 1 83 PRO C 1 84 TYR N 129.61 153.98 140.11 137.53 132.53 0.22 8 0 "[ . 1]"
180 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 HIS N 108.39 151.57 124.22 108.73 146.10 . . 0 "[ . 1]"
181 . 1 86 GLN N 1 86 GLN CA 1 86 GLN C 1 87 TYR N -45.95 -19.57 -22.40 -26.17 -19.21 0.36 8 0 "[ . 1]"
182 . 1 87 TYR N 1 87 TYR CA 1 87 TYR C 1 88 ILE N -40.53 5.34 -12.11 -40.69 6.05 0.71 9 0 "[ . 1]"
183 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 VAL N -43.13 -12.47 -29.71 -40.24 -19.47 . . 0 "[ . 1]"
184 . 1 89 VAL N 1 89 VAL CA 1 89 VAL C 1 90 GLU N -45.05 -20.80 -32.18 -34.76 -35.51 . . 0 "[ . 1]"
185 . 1 90 GLU N 1 90 GLU CA 1 90 GLU C 1 91 ASP N -43.01 -26.76 -35.59 -37.05 -38.73 . . 0 "[ . 1]"
186 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 TRP N -47.13 -22.45 -31.94 -41.90 -22.97 . . 0 "[ . 1]"
187 . 1 92 TRP N 1 92 TRP CA 1 92 TRP C 1 93 GLN N -43.95 -35.43 -40.78 -44.28 -35.49 0.33 5 0 "[ . 1]"
188 . 1 93 GLN N 1 93 GLN CA 1 93 GLN C 1 94 GLU N -49.32 -24.30 -27.52 -32.09 -23.68 0.63 7 0 "[ . 1]"
189 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 LYS N -46.13 -34.40 -45.71 -46.54 -46.70 0.57 1 0 "[ . 1]"
190 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 TYR N -47.99 -24.78 -24.47 -24.59 -24.61 0.97 6 0 "[ . 1]"
191 . 1 96 TYR N 1 96 TYR CA 1 96 TYR C 1 97 LYS N -50.40 -13.52 -31.27 -47.26 -21.43 . . 0 "[ . 1]"
192 . 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 SER N -49.98 -32.94 -37.50 -43.90 -32.25 0.70 7 0 "[ . 1]"
193 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 GLN N -43.14 -32.43 -35.91 -43.22 -32.56 0.07 2 0 "[ . 1]"
194 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 ILE N -47.35 -38.17 -44.89 -45.63 -47.25 1.44 7 0 "[ . 1]"
195 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 LEU N -46.96 -34.00 -37.04 -34.30 -36.39 0.11 10 0 "[ . 1]"
196 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ASN N -45.96 -34.43 -39.39 -35.95 -37.52 1.66 7 0 "[ . 1]"
197 . 1 102 ASN N 1 102 ASN CA 1 102 ASN C 1 103 LEU N -47.66 -31.18 -39.25 -47.17 -31.86 . . 0 "[ . 1]"
198 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 GLU N -49.61 -35.39 -40.51 -39.32 -42.03 0.23 10 0 "[ . 1]"
199 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 GLU N -49.09 -34.99 -40.01 -49.17 -34.75 0.24 4 0 "[ . 1]"
200 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C 1 106 SER N -44.06 -33.09 -37.90 -43.09 -32.97 0.13 8 0 "[ . 1]"
201 . 1 106 SER N 1 106 SER CA 1 106 SER C 1 107 LYS N -46.57 -36.73 -40.79 -38.24 -41.53 0.07 8 0 "[ . 1]"
202 . 1 107 LYS N 1 107 LYS CA 1 107 LYS C 1 108 ALA N -42.08 -35.90 -38.93 -39.19 -41.21 0.09 8 0 "[ . 1]"
203 . 1 108 ALA N 1 108 ALA CA 1 108 ALA C 1 109 THR N -43.04 -33.76 -36.94 -43.23 -32.33 1.43 7 0 "[ . 1]"
204 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 ILE N -49.55 -35.24 -43.82 -49.68 -34.82 0.42 1 0 "[ . 1]"
205 . 1 110 ILE N 1 110 ILE CA 1 110 ILE C 1 111 HIS N -46.66 -34.23 -37.70 -36.82 -39.08 . . 0 "[ . 1]"
206 . 1 111 HIS N 1 111 HIS CA 1 111 HIS C 1 112 GLU N -46.88 -27.68 -31.76 -29.10 -29.35 0.16 9 0 "[ . 1]"
207 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 ASN N -50.19 -22.17 -32.65 -32.09 -46.09 0.34 8 0 "[ . 1]"
208 . 1 113 ASN N 1 113 ASN CA 1 113 ASN C 1 114 ILE N -48.66 -28.83 -42.59 -48.74 -48.83 0.22 10 0 "[ . 1]"
209 . 1 114 ILE N 1 114 ILE CA 1 114 ILE C 1 115 GLY N -46.83 -19.52 -30.11 -39.95 -20.36 . . 0 "[ . 1]"
210 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 ALA N -42.28 -14.82 -22.80 -22.38 -25.19 0.27 4 0 "[ . 1]"
211 . 1 116 ALA N 1 116 ALA CA 1 116 ALA C 1 117 ALA N -55.03 -8.11 -32.67 -53.34 -14.35 . . 0 "[ . 1]"
212 . 1 119 PHE N 1 119 PHE CA 1 119 PHE C 1 120 LYS N 85.09 172.75 86.33 84.41 89.77 0.68 2 0 "[ . 1]"
213 . 1 121 MET N 1 121 MET CA 1 121 MET C 1 122 SER N 115.16 166.70 140.90 166.71 157.56 0.02 2 0 "[ . 1]"
214 . 1 122 SER N 1 122 SER CA 1 122 SER C 1 123 PRO N 125.90 149.56 147.17 141.84 150.31 0.75 9 0 "[ . 1]"
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