NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603486 |
2n3e   |
25643 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2n3e
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 224
_TA_constraint_stats_list.Viol_count 1166
_TA_constraint_stats_list.Viol_total 12377.06
_TA_constraint_stats_list.Viol_max 3.04
_TA_constraint_stats_list.Viol_rms 0.36
_TA_constraint_stats_list.Viol_average_all_restraints 0.14
_TA_constraint_stats_list.Viol_average_violations_only 0.53
_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 ASN C 1 7 THR N 1 7 THR CA 1 7 THR C -164.88 -44.88 -147.89 -165.11 -129.12 0.23 8 0 "[ . 1 . 2]"
2 . 1 7 THR C 1 8 PRO N 1 8 PRO CA 1 8 PRO C -83.54 -41.00 -67.98 -65.04 -65.30 0.41 7 0 "[ . 1 . 2]"
3 . 1 8 PRO C 1 9 TRP N 1 9 TRP CA 1 9 TRP C -146.75 -42.69 -86.63 -85.72 -88.02 . . 0 "[ . 1 . 2]"
4 . 1 9 TRP C 1 10 SER N 1 10 SER CA 1 10 SER C -104.38 -42.96 -83.37 -102.36 -104.72 1.10 16 0 "[ . 1 . 2]"
5 . 1 11 SER C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -73.89 -42.73 -70.40 -74.73 -52.53 0.84 12 0 "[ . 1 . 2]"
6 . 1 12 LYS C 1 13 ALA N 1 13 ALA CA 1 13 ALA C -93.22 -46.22 -70.55 -85.85 -56.32 . . 0 "[ . 1 . 2]"
7 . 1 13 ALA C 1 14 ASN N 1 14 ASN CA 1 14 ASN C -71.26 -57.22 -71.93 -72.80 -71.29 1.54 15 0 "[ . 1 . 2]"
8 . 1 14 ASN C 1 15 ALA N 1 15 ALA CA 1 15 ALA C -72.42 -55.24 -69.17 -72.61 -72.96 0.61 18 0 "[ . 1 . 2]"
9 . 1 15 ALA C 1 16 ASP N 1 16 ASP CA 1 16 ASP C -68.66 -55.16 -57.81 -55.07 -56.22 0.80 17 0 "[ . 1 . 2]"
10 . 1 16 ASP C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -77.21 -51.85 -56.60 -63.05 -51.21 0.64 16 0 "[ . 1 . 2]"
11 . 1 17 ALA C 1 18 PHE N 1 18 PHE CA 1 18 PHE C -73.69 -53.47 -63.35 -71.18 -56.97 . . 0 "[ . 1 . 2]"
12 . 1 18 PHE C 1 19 ILE N 1 19 ILE CA 1 19 ILE C -75.02 -54.50 -69.39 -75.64 -60.15 0.62 12 0 "[ . 1 . 2]"
13 . 1 19 ILE C 1 20 ASN N 1 20 ASN CA 1 20 ASN C -68.11 -51.13 -66.31 -68.54 -61.16 0.43 18 0 "[ . 1 . 2]"
14 . 1 20 ASN C 1 21 SER N 1 21 SER CA 1 21 SER C -77.38 -54.84 -60.00 -67.11 -54.95 . . 0 "[ . 1 . 2]"
15 . 1 21 SER C 1 22 PHE N 1 22 PHE CA 1 22 PHE C -71.86 -59.26 -68.73 -63.35 -64.10 0.48 18 0 "[ . 1 . 2]"
16 . 1 22 PHE C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -72.14 -50.32 -64.44 -66.21 -70.13 . . 0 "[ . 1 . 2]"
17 . 1 23 ILE C 1 24 SER N 1 24 SER CA 1 24 SER C -67.90 -53.42 -58.28 -64.76 -53.76 . . 0 "[ . 1 . 2]"
18 . 1 24 SER C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -77.61 -52.71 -77.90 -77.72 -77.83 0.55 9 0 "[ . 1 . 2]"
19 . 1 25 ALA C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -81.18 -49.58 -65.65 -74.25 -58.90 . . 0 "[ . 1 . 2]"
20 . 1 26 ALA C 1 27 SER N 1 27 SER CA 1 27 SER C -80.75 -55.11 -62.99 -65.21 -66.95 . . 0 "[ . 1 . 2]"
21 . 1 27 SER C 1 28 ASN N 1 28 ASN CA 1 28 ASN C -105.44 -46.38 -106.01 -106.42 -105.38 0.98 14 0 "[ . 1 . 2]"
22 . 1 28 ASN C 1 29 THR N 1 29 THR CA 1 29 THR C -123.42 -34.36 -91.26 -94.64 -101.19 . . 0 "[ . 1 . 2]"
23 . 1 32 PHE C 1 33 SER N 1 33 SER CA 1 33 SER C -96.45 -59.89 -60.61 -59.71 -59.71 0.52 16 0 "[ . 1 . 2]"
24 . 1 33 SER C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -67.86 -52.76 -52.65 -53.29 -52.28 0.48 1 0 "[ . 1 . 2]"
25 . 1 34 GLN C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -74.38 -56.32 -62.54 -62.51 -64.07 0.13 10 0 "[ . 1 . 2]"
26 . 1 35 ASP C 1 36 GLN N 1 36 GLN CA 1 36 GLN C -76.03 -56.57 -72.03 -69.96 -70.96 0.53 19 0 "[ . 1 . 2]"
27 . 1 36 GLN C 1 37 MET N 1 37 MET CA 1 37 MET C -74.16 -63.48 -63.80 -63.51 -63.60 0.43 15 0 "[ . 1 . 2]"
28 . 1 37 MET C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -79.08 -57.08 -59.24 -70.36 -56.87 0.21 19 0 "[ . 1 . 2]"
29 . 1 38 GLU C 1 39 ASN N 1 39 ASN CA 1 39 ASN C -74.77 -55.87 -57.78 -57.15 -58.15 0.22 3 0 "[ . 1 . 2]"
30 . 1 39 ASN C 1 40 MET N 1 40 MET CA 1 40 MET C -68.36 -56.88 -60.41 -66.75 -55.70 1.18 1 0 "[ . 1 . 2]"
31 . 1 40 MET C 1 41 SER N 1 41 SER CA 1 41 SER C -70.01 -55.95 -69.27 -70.49 -55.64 0.48 13 0 "[ . 1 . 2]"
32 . 1 41 SER C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -119.19 -60.89 -90.61 -97.34 -106.50 . . 0 "[ . 1 . 2]"
33 . 1 42 LEU C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -163.47 -110.43 -123.46 -133.45 -115.57 . . 0 "[ . 1 . 2]"
34 . 1 44 GLY C 1 45 ASN N 1 45 ASN CA 1 45 ASN C -78.25 -52.57 -61.04 -74.81 -52.41 0.16 19 0 "[ . 1 . 2]"
35 . 1 45 ASN C 1 46 THR N 1 46 THR CA 1 46 THR C -71.85 -58.65 -62.32 -68.82 -58.13 0.52 8 0 "[ . 1 . 2]"
36 . 1 46 THR C 1 47 LEU N 1 47 LEU CA 1 47 LEU C -75.02 -52.88 -56.91 -65.64 -52.32 0.56 1 0 "[ . 1 . 2]"
37 . 1 47 LEU C 1 48 MET N 1 48 MET CA 1 48 MET C -75.64 -52.92 -53.92 -52.96 -54.85 0.52 14 0 "[ . 1 . 2]"
38 . 1 48 MET C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -72.80 -61.50 -61.46 -63.42 -60.70 0.80 18 0 "[ . 1 . 2]"
39 . 1 49 ALA C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -69.60 -53.62 -65.01 -66.83 -67.20 . . 0 "[ . 1 . 2]"
40 . 1 50 ALA C 1 51 MET N 1 51 MET CA 1 51 MET C -69.59 -54.45 -57.08 -56.70 -58.70 0.30 7 0 "[ . 1 . 2]"
41 . 1 51 MET C 1 52 ASP N 1 52 ASP CA 1 52 ASP C -74.11 -53.79 -62.70 -76.00 -54.23 1.89 20 0 "[ . 1 . 2]"
42 . 1 52 ASP C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -70.96 -52.54 -66.11 -67.17 -68.67 0.30 9 0 "[ . 1 . 2]"
43 . 1 53 ASN C 1 54 MET N 1 54 MET CA 1 54 MET C -90.46 -42.48 -58.35 -64.28 -67.44 . . 0 "[ . 1 . 2]"
44 . 1 56 GLY C 1 57 ARG N 1 57 ARG CA 1 57 ARG C -138.27 -47.07 -128.02 -125.91 -126.78 1.01 20 0 "[ . 1 . 2]"
45 . 1 57 ARG C 1 58 ILE N 1 58 ILE CA 1 58 ILE C -116.96 -45.58 -114.76 -118.12 -101.58 1.16 3 0 "[ . 1 . 2]"
46 . 1 58 ILE C 1 59 THR N 1 59 THR CA 1 59 THR C -148.20 -85.52 -130.56 -137.92 -139.95 0.52 12 0 "[ . 1 . 2]"
47 . 1 61 SER C 1 62 LYS N 1 62 LYS CA 1 62 LYS C -80.80 -36.98 -74.12 -81.42 -59.21 0.62 7 0 "[ . 1 . 2]"
48 . 1 62 LYS C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -74.27 -49.45 -61.78 -59.10 -61.48 0.61 14 0 "[ . 1 . 2]"
49 . 1 63 LEU C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -75.75 -55.35 -55.89 -55.76 -56.56 1.81 12 0 "[ . 1 . 2]"
50 . 1 64 GLN C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -71.92 -51.16 -69.75 -67.23 -71.42 1.82 13 0 "[ . 1 . 2]"
51 . 1 65 ALA C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -73.90 -52.56 -70.11 -74.60 -54.94 0.70 13 0 "[ . 1 . 2]"
52 . 1 66 LEU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -76.75 -48.99 -48.31 -48.66 -48.77 2.09 12 0 "[ . 1 . 2]"
53 . 1 67 ASP C 1 68 MET N 1 68 MET CA 1 68 MET C -71.97 -54.31 -67.19 -64.39 -64.60 0.74 20 0 "[ . 1 . 2]"
54 . 1 68 MET C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -73.25 -55.69 -59.90 -55.92 -56.09 0.46 4 0 "[ . 1 . 2]"
55 . 1 69 ALA C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -75.77 -53.01 -55.81 -67.01 -52.19 0.82 12 0 "[ . 1 . 2]"
56 . 1 70 PHE C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -70.23 -50.61 -68.05 -70.79 -59.85 0.56 12 0 "[ . 1 . 2]"
57 . 1 71 ALA C 1 72 SER N 1 72 SER CA 1 72 SER C -69.19 -51.49 -69.15 -68.74 -69.12 0.50 7 0 "[ . 1 . 2]"
58 . 1 72 SER C 1 73 SER N 1 73 SER CA 1 73 SER C -70.04 -56.60 -69.94 -70.05 -70.07 0.26 20 0 "[ . 1 . 2]"
59 . 1 73 SER C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -74.94 -57.44 -61.50 -63.80 -65.97 0.61 14 0 "[ . 1 . 2]"
60 . 1 74 VAL C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -73.63 -47.97 -68.70 -73.92 -59.69 0.29 7 0 "[ . 1 . 2]"
61 . 1 75 ALA C 1 76 GLN N 1 76 GLN CA 1 76 GLN C -76.02 -50.72 -68.45 -76.26 -58.94 0.24 14 0 "[ . 1 . 2]"
62 . 1 76 GLN C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -74.01 -53.89 -56.23 -61.96 -68.81 0.53 14 0 "[ . 1 . 2]"
63 . 1 77 ILE C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -78.17 -49.83 -76.50 -78.49 -78.54 0.68 8 0 "[ . 1 . 2]"
64 . 1 78 ALA C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -82.02 -58.36 -57.93 -57.87 -57.89 0.78 17 0 "[ . 1 . 2]"
65 . 1 79 ALA C 1 80 SER N 1 80 SER CA 1 80 SER C -81.11 -50.25 -78.85 -76.94 -78.17 1.93 4 0 "[ . 1 . 2]"
66 . 1 83 GLY C 1 84 ASP N 1 84 ASP CA 1 84 ASP C -118.30 -44.38 -67.90 -106.56 -54.33 . . 0 "[ . 1 . 2]"
67 . 1 84 ASP C 1 85 LEU N 1 85 LEU CA 1 85 LEU C -107.11 -19.77 -68.52 -62.46 -67.69 . . 0 "[ . 1 . 2]"
68 . 1 85 LEU C 1 86 GLY N 1 86 GLY CA 1 86 GLY C -71.08 -54.42 -64.98 -71.47 -54.76 0.39 13 0 "[ . 1 . 2]"
69 . 1 86 GLY C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -70.37 -55.77 -69.07 -70.10 -70.45 0.32 5 0 "[ . 1 . 2]"
70 . 1 87 VAL C 1 88 THR N 1 88 THR CA 1 88 THR C -73.77 -52.27 -52.27 -51.95 -52.32 0.87 10 0 "[ . 1 . 2]"
71 . 1 88 THR C 1 89 THR N 1 89 THR CA 1 89 THR C -75.77 -51.83 -55.95 -60.20 -51.07 0.76 20 0 "[ . 1 . 2]"
72 . 1 89 THR C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -70.49 -57.67 -70.81 -71.12 -70.24 0.63 11 0 "[ . 1 . 2]"
73 . 1 90 ASN C 1 91 ALA N 1 91 ALA CA 1 91 ALA C -77.79 -53.49 -66.53 -77.98 -60.19 0.19 7 0 "[ . 1 . 2]"
74 . 1 91 ALA C 1 92 ILE N 1 92 ILE CA 1 92 ILE C -72.35 -56.09 -66.66 -72.81 -60.33 0.46 13 0 "[ . 1 . 2]"
75 . 1 92 ILE C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -72.14 -53.66 -61.86 -72.29 -56.00 0.15 13 0 "[ . 1 . 2]"
76 . 1 93 ALA C 1 94 ASP N 1 94 ASP CA 1 94 ASP C -77.09 -55.45 -55.58 -55.26 -55.29 0.68 18 0 "[ . 1 . 2]"
77 . 1 94 ASP C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -77.00 -52.14 -62.35 -55.90 -57.02 . . 0 "[ . 1 . 2]"
78 . 1 95 ALA C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -69.61 -59.77 -69.95 -70.03 -70.09 1.36 18 0 "[ . 1 . 2]"
79 . 1 96 LEU C 1 97 THR N 1 97 THR CA 1 97 THR C -71.78 -58.06 -64.84 -69.30 -58.61 . . 0 "[ . 1 . 2]"
80 . 1 97 THR C 1 98 SER N 1 98 SER CA 1 98 SER C -70.60 -52.20 -62.08 -64.43 -66.61 0.02 6 0 "[ . 1 . 2]"
81 . 1 98 SER C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -69.73 -53.73 -62.83 -70.40 -53.13 0.67 15 0 "[ . 1 . 2]"
82 . 1 99 ALA C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -76.24 -47.30 -48.61 -47.89 -50.49 0.72 9 0 "[ . 1 . 2]"
83 . 1 100 PHE C 1 101 TYR N 1 101 TYR CA 1 101 TYR C -71.83 -50.57 -71.46 -72.07 -72.16 0.35 1 0 "[ . 1 . 2]"
84 . 1 101 TYR C 1 102 GLN N 1 102 GLN CA 1 102 GLN C -96.05 -47.79 -74.81 -80.58 -64.86 . . 0 "[ . 1 . 2]"
85 . 1 102 GLN C 1 103 THR N 1 103 THR CA 1 103 THR C -136.20 -44.82 -106.68 -103.81 -104.52 . . 0 "[ . 1 . 2]"
86 . 1 103 THR C 1 104 THR N 1 104 THR CA 1 104 THR C -125.71 -70.29 -126.53 -126.55 -126.73 1.76 1 0 "[ . 1 . 2]"
87 . 1 105 GLY C 1 106 VAL N 1 106 VAL CA 1 106 VAL C -152.65 -89.59 -106.84 -114.69 -98.06 . . 0 "[ . 1 . 2]"
88 . 1 106 VAL C 1 107 VAL N 1 107 VAL CA 1 107 VAL C -151.07 -32.81 -70.32 -73.68 -73.86 . . 0 "[ . 1 . 2]"
89 . 1 107 VAL C 1 108 ASN N 1 108 ASN CA 1 108 ASN C -69.49 -49.51 -71.22 -71.41 -71.70 2.72 12 0 "[ . 1 . 2]"
90 . 1 108 ASN C 1 109 SER N 1 109 SER CA 1 109 SER C -75.11 -55.01 -59.02 -56.07 -56.92 0.56 8 0 "[ . 1 . 2]"
91 . 1 109 SER C 1 110 ARG N 1 110 ARG CA 1 110 ARG C -76.60 -57.44 -64.46 -71.54 -56.92 0.52 6 0 "[ . 1 . 2]"
92 . 1 110 ARG C 1 111 PHE N 1 111 PHE CA 1 111 PHE C -73.58 -53.80 -75.66 -76.40 -74.67 2.82 8 0 "[ . 1 . 2]"
93 . 1 111 PHE C 1 112 ILE N 1 112 ILE CA 1 112 ILE C -71.64 -56.62 -56.93 -63.00 -56.01 0.61 12 0 "[ . 1 . 2]"
94 . 1 112 ILE C 1 113 SER N 1 113 SER CA 1 113 SER C -67.97 -55.89 -57.43 -63.44 -55.57 0.32 12 0 "[ . 1 . 2]"
95 . 1 113 SER C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -72.55 -57.23 -67.83 -73.48 -56.96 0.93 16 0 "[ . 1 . 2]"
96 . 1 114 GLU C 1 115 ILE N 1 115 ILE CA 1 115 ILE C -72.59 -55.85 -67.12 -59.54 -62.72 0.18 7 0 "[ . 1 . 2]"
97 . 1 115 ILE C 1 116 ARG N 1 116 ARG CA 1 116 ARG C -65.97 -54.51 -54.06 -54.46 -52.95 1.56 18 0 "[ . 1 . 2]"
98 . 1 116 ARG C 1 117 SER N 1 117 SER CA 1 117 SER C -73.17 -57.41 -70.32 -59.17 -69.75 0.25 15 0 "[ . 1 . 2]"
99 . 1 117 SER C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -74.58 -56.20 -68.77 -74.53 -65.20 . . 0 "[ . 1 . 2]"
100 . 1 118 LEU C 1 119 ILE N 1 119 ILE CA 1 119 ILE C -67.24 -57.78 -58.73 -61.67 -57.66 0.12 12 0 "[ . 1 . 2]"
101 . 1 119 ILE C 1 120 GLY N 1 120 GLY CA 1 120 GLY C -71.05 -57.23 -67.24 -71.38 -57.22 0.33 11 0 "[ . 1 . 2]"
102 . 1 120 GLY C 1 121 MET N 1 121 MET CA 1 121 MET C -71.44 -52.76 -63.91 -65.91 -66.92 . . 0 "[ . 1 . 2]"
103 . 1 121 MET C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -69.95 -59.25 -62.97 -69.97 -58.99 0.26 20 0 "[ . 1 . 2]"
104 . 1 122 PHE C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -70.12 -49.98 -62.61 -68.95 -54.27 . . 0 "[ . 1 . 2]"
105 . 1 123 ALA C 1 124 GLN N 1 124 GLN CA 1 124 GLN C -70.55 -55.57 -69.88 -69.43 -69.98 0.27 17 0 "[ . 1 . 2]"
106 . 1 124 GLN C 1 125 ALA N 1 125 ALA CA 1 125 ALA C -80.98 -45.36 -64.36 -73.00 -56.43 . . 0 "[ . 1 . 2]"
107 . 1 125 ALA C 1 126 SER N 1 126 SER CA 1 126 SER C -75.53 -55.71 -63.41 -74.85 -55.81 . . 0 "[ . 1 . 2]"
108 . 1 126 SER C 1 127 ALA N 1 127 ALA CA 1 127 ALA C -83.18 -52.12 -66.57 -63.56 -64.18 . . 0 "[ . 1 . 2]"
109 . 1 127 ALA C 1 128 ASN N 1 128 ASN CA 1 128 ASN C -94.64 -45.30 -67.17 -83.76 -44.72 0.58 17 0 "[ . 1 . 2]"
110 . 1 128 ASN C 1 129 ASP N 1 129 ASP CA 1 129 ASP C -94.64 -45.30 -70.06 -95.18 -62.43 0.54 17 0 "[ . 1 . 2]"
111 . 1 129 ASP C 1 130 VAL N 1 130 VAL CA 1 130 VAL C -95.61 -42.45 -65.80 -98.65 -58.03 3.04 17 0 "[ . 1 . 2]"
112 . 1 131 TYR C 1 132 ALA N 1 132 ALA CA 1 132 ALA C -172.05 -45.71 -81.28 -81.03 -81.08 . . 0 "[ . 1 . 2]"
113 . 1 7 THR N 1 7 THR CA 1 7 THR C 1 8 PRO N 115.24 172.42 152.23 155.54 152.51 . . 0 "[ . 1 . 2]"
114 . 1 8 PRO N 1 8 PRO CA 1 8 PRO C 1 9 TRP N -34.91 -5.85 -33.81 -35.74 -27.17 0.83 14 0 "[ . 1 . 2]"
115 . 1 9 TRP N 1 9 TRP CA 1 9 TRP C 1 10 SER N -48.98 61.38 -3.34 -30.89 23.41 . . 0 "[ . 1 . 2]"
116 . 1 10 SER N 1 10 SER CA 1 10 SER C 1 11 SER N -66.70 24.02 -18.51 -25.37 -28.26 . . 0 "[ . 1 . 2]"
117 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 ALA N -54.78 -28.86 -40.17 -41.27 -41.52 . . 0 "[ . 1 . 2]"
118 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 ASN N -49.34 -20.06 -42.24 -50.45 -31.07 1.11 12 0 "[ . 1 . 2]"
119 . 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 ALA N -54.67 -29.71 -31.10 -29.63 -32.55 0.81 14 0 "[ . 1 . 2]"
120 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 ASP N -57.31 -26.39 -44.99 -55.17 -27.90 . . 0 "[ . 1 . 2]"
121 . 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 ALA N -55.87 -29.83 -52.85 -51.11 -53.38 0.84 15 0 "[ . 1 . 2]"
122 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 PHE N -56.31 -15.01 -37.81 -40.61 -42.29 . . 0 "[ . 1 . 2]"
123 . 1 18 PHE N 1 18 PHE CA 1 18 PHE C 1 19 ILE N -52.83 -37.43 -41.81 -38.86 -41.10 0.45 7 0 "[ . 1 . 2]"
124 . 1 19 ILE N 1 19 ILE CA 1 19 ILE C 1 20 ASN N -53.88 -37.08 -43.96 -38.54 -42.93 . . 0 "[ . 1 . 2]"
125 . 1 20 ASN N 1 20 ASN CA 1 20 ASN C 1 21 SER N -49.89 -32.83 -49.90 -50.92 -45.20 1.03 19 0 "[ . 1 . 2]"
126 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 PHE N -50.52 -30.92 -30.85 -30.67 -30.71 1.74 6 0 "[ . 1 . 2]"
127 . 1 22 PHE N 1 22 PHE CA 1 22 PHE C 1 23 ILE N -51.90 -36.78 -48.34 -52.21 -35.94 0.84 14 0 "[ . 1 . 2]"
128 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 SER N -55.61 -31.03 -56.01 -56.28 -55.73 0.67 18 0 "[ . 1 . 2]"
129 . 1 24 SER N 1 24 SER CA 1 24 SER C 1 25 ALA N -59.63 -18.35 -34.87 -34.52 -35.14 . . 0 "[ . 1 . 2]"
130 . 1 25 ALA N 1 25 ALA CA 1 25 ALA C 1 26 ALA N -54.76 -27.12 -46.01 -45.66 -45.94 . . 0 "[ . 1 . 2]"
131 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 SER N -56.90 -16.08 -32.42 -35.67 -36.71 . . 0 "[ . 1 . 2]"
132 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ASN N -58.64 -2.46 -29.29 -34.33 -22.33 . . 0 "[ . 1 . 2]"
133 . 1 28 ASN N 1 28 ASN CA 1 28 ASN C 1 29 THR N -68.47 6.63 7.31 7.33 7.29 1.08 16 0 "[ . 1 . 2]"
134 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 PHE N -64.53 12.13 -50.70 -62.39 -64.93 1.24 5 0 "[ . 1 . 2]"
135 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 GLN N 138.30 -175.28 162.13 157.66 168.44 . . 0 "[ . 1 . 2]"
136 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 ASP N -50.01 -30.39 -38.30 -44.68 -30.09 0.30 1 0 "[ . 1 . 2]"
137 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 GLN N -48.36 -36.10 -37.91 -47.17 -35.55 0.55 11 0 "[ . 1 . 2]"
138 . 1 36 GLN N 1 36 GLN CA 1 36 GLN C 1 37 MET N -54.61 -31.67 -33.44 -32.74 -33.11 0.56 15 0 "[ . 1 . 2]"
139 . 1 37 MET N 1 37 MET CA 1 37 MET C 1 38 GLU N -42.15 -23.57 -34.12 -39.85 -29.44 . . 0 "[ . 1 . 2]"
140 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ASN N -54.97 -20.11 -43.84 -50.12 -37.26 . . 0 "[ . 1 . 2]"
141 . 1 39 ASN N 1 39 ASN CA 1 39 ASN C 1 40 MET N -46.15 -32.57 -40.25 -46.13 -31.69 0.88 1 0 "[ . 1 . 2]"
142 . 1 40 MET N 1 40 MET CA 1 40 MET C 1 41 SER N -52.79 -32.45 -33.05 -39.06 -31.69 0.76 17 0 "[ . 1 . 2]"
143 . 1 41 SER N 1 41 SER CA 1 41 SER C 1 42 LEU N -58.06 -24.54 -23.90 -23.77 -23.94 1.19 20 0 "[ . 1 . 2]"
144 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ILE N -69.45 7.21 -21.62 -23.46 -25.17 . . 0 "[ . 1 . 2]"
145 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 GLY N 129.90 -167.36 156.10 143.00 168.02 . . 0 "[ . 1 . 2]"
146 . 1 45 ASN N 1 45 ASN CA 1 45 ASN C 1 46 THR N -71.18 12.18 -35.04 -41.06 -23.11 . . 0 "[ . 1 . 2]"
147 . 1 46 THR N 1 46 THR CA 1 46 THR C 1 47 LEU N -54.26 -35.28 -35.28 -38.15 -34.78 0.50 1 0 "[ . 1 . 2]"
148 . 1 47 LEU N 1 47 LEU CA 1 47 LEU C 1 48 MET N -49.28 -24.80 -35.84 -40.21 -31.19 . . 0 "[ . 1 . 2]"
149 . 1 48 MET N 1 48 MET CA 1 48 MET C 1 49 ALA N -53.51 -6.09 -37.26 -47.23 -28.14 . . 0 "[ . 1 . 2]"
150 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ALA N -52.33 -17.21 -33.94 -30.63 -31.11 . . 0 "[ . 1 . 2]"
151 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 MET N -61.45 -22.89 -33.25 -49.78 -22.77 0.12 7 0 "[ . 1 . 2]"
152 . 1 51 MET N 1 51 MET CA 1 51 MET C 1 52 ASP N -48.87 -29.89 -31.77 -30.93 -31.12 0.27 15 0 "[ . 1 . 2]"
153 . 1 52 ASP N 1 52 ASP CA 1 52 ASP C 1 53 ASN N -62.34 -8.52 -25.28 -29.36 -29.80 0.30 20 0 "[ . 1 . 2]"
154 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 MET N -64.13 -16.79 -29.12 -42.53 -21.46 . . 0 "[ . 1 . 2]"
155 . 1 54 MET N 1 54 MET CA 1 54 MET C 1 55 GLY N -69.83 -0.69 -30.31 -27.95 -29.24 . . 0 "[ . 1 . 2]"
156 . 1 57 ARG N 1 57 ARG CA 1 57 ARG C 1 58 ILE N 112.55 162.47 112.75 111.62 115.22 0.93 9 0 "[ . 1 . 2]"
157 . 1 58 ILE N 1 58 ILE CA 1 58 ILE C 1 59 THR N 84.64 175.84 147.43 128.40 160.50 . . 0 "[ . 1 . 2]"
158 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 PRO N 121.88 -170.58 160.52 149.01 169.35 . . 0 "[ . 1 . 2]"
159 . 1 62 LYS N 1 62 LYS CA 1 62 LYS C 1 63 LEU N -52.11 -29.55 -48.50 -52.71 -30.35 0.60 11 0 "[ . 1 . 2]"
160 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 GLN N -51.37 -27.31 -38.10 -52.52 -26.98 1.15 19 0 "[ . 1 . 2]"
161 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 ALA N -51.41 -28.81 -39.90 -35.74 -38.45 0.05 11 0 "[ . 1 . 2]"
162 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 LEU N -50.93 -29.47 -38.56 -40.92 -42.52 0.76 13 0 "[ . 1 . 2]"
163 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 ASP N -53.29 -31.99 -47.29 -53.90 -38.16 0.61 4 0 "[ . 1 . 2]"
164 . 1 67 ASP N 1 67 ASP CA 1 67 ASP C 1 68 MET N -56.09 -22.15 -40.49 -42.53 -43.86 . . 0 "[ . 1 . 2]"
165 . 1 68 MET N 1 68 MET CA 1 68 MET C 1 69 ALA N -50.42 -27.18 -38.20 -47.35 -27.42 . . 0 "[ . 1 . 2]"
166 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 PHE N -51.19 -34.95 -42.78 -48.99 -34.29 0.66 13 0 "[ . 1 . 2]"
167 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ALA N -54.00 -35.82 -39.14 -38.93 -40.50 0.46 3 0 "[ . 1 . 2]"
168 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 SER N -58.73 -27.03 -37.75 -42.09 -44.10 . . 0 "[ . 1 . 2]"
169 . 1 72 SER N 1 72 SER CA 1 72 SER C 1 73 SER N -54.26 -30.84 -38.31 -52.05 -30.63 0.21 4 0 "[ . 1 . 2]"
170 . 1 73 SER N 1 73 SER CA 1 73 SER C 1 74 VAL N -49.47 -33.15 -46.55 -49.83 -35.84 0.36 5 0 "[ . 1 . 2]"
171 . 1 74 VAL N 1 74 VAL CA 1 74 VAL C 1 75 ALA N -49.98 -35.04 -36.58 -44.16 -34.63 0.41 18 0 "[ . 1 . 2]"
172 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 GLN N -58.94 -27.00 -40.15 -39.92 -40.74 . . 0 "[ . 1 . 2]"
173 . 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 ILE N -57.00 -22.80 -44.52 -50.88 -35.02 . . 0 "[ . 1 . 2]"
174 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 ALA N -54.62 -27.16 -50.55 -52.46 -53.29 0.51 8 0 "[ . 1 . 2]"
175 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 ALA N -53.92 -21.60 -49.70 -53.98 -40.82 0.06 18 0 "[ . 1 . 2]"
176 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 SER N -67.97 16.33 -24.53 -30.81 -21.07 . . 0 "[ . 1 . 2]"
177 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 GLN N -56.69 -20.39 -20.47 -20.20 -20.23 0.24 10 0 "[ . 1 . 2]"
178 . 1 84 ASP N 1 84 ASP CA 1 84 ASP C 1 85 LEU N 82.72 147.16 113.33 97.91 92.61 0.57 4 0 "[ . 1 . 2]"
179 . 1 85 LEU N 1 85 LEU CA 1 85 LEU C 1 86 GLY N -65.22 11.68 -19.08 -26.31 -8.55 . . 0 "[ . 1 . 2]"
180 . 1 86 GLY N 1 86 GLY CA 1 86 GLY C 1 87 VAL N -54.80 -20.30 -36.92 -40.13 -42.66 . . 0 "[ . 1 . 2]"
181 . 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 THR N -53.16 -36.10 -42.79 -39.60 -41.07 0.39 10 0 "[ . 1 . 2]"
182 . 1 88 THR N 1 88 THR CA 1 88 THR C 1 89 THR N -55.91 -24.01 -37.31 -32.40 -33.31 . . 0 "[ . 1 . 2]"
183 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 ASN N -52.24 -30.80 -48.34 -48.22 -48.70 . . 0 "[ . 1 . 2]"
184 . 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 ALA N -51.47 -30.37 -38.07 -33.92 -35.32 . . 0 "[ . 1 . 2]"
185 . 1 91 ALA N 1 91 ALA CA 1 91 ALA C 1 92 ILE N -59.07 -21.57 -56.78 -59.32 -52.20 0.25 2 0 "[ . 1 . 2]"
186 . 1 92 ILE N 1 92 ILE CA 1 92 ILE C 1 93 ALA N -53.69 -29.25 -46.58 -45.97 -47.24 . . 0 "[ . 1 . 2]"
187 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 ASP N -52.11 -24.63 -48.19 -52.52 -40.97 0.41 17 0 "[ . 1 . 2]"
188 . 1 94 ASP N 1 94 ASP CA 1 94 ASP C 1 95 ALA N -53.73 -32.25 -47.70 -54.28 -33.54 0.55 14 0 "[ . 1 . 2]"
189 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 LEU N -58.87 -16.81 -40.62 -46.11 -32.66 . . 0 "[ . 1 . 2]"
190 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 THR N -42.86 -28.90 -37.73 -42.96 -28.61 0.29 18 0 "[ . 1 . 2]"
191 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 SER N -53.53 -35.27 -52.06 -54.09 -46.56 0.56 18 0 "[ . 1 . 2]"
192 . 1 98 SER N 1 98 SER CA 1 98 SER C 1 99 ALA N -51.57 -34.11 -39.56 -36.61 -38.29 0.50 12 0 "[ . 1 . 2]"
193 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 PHE N -56.75 -23.31 -43.52 -46.79 -33.68 . . 0 "[ . 1 . 2]"
194 . 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 TYR N -55.80 -33.50 -55.52 -55.22 -55.95 0.80 13 0 "[ . 1 . 2]"
195 . 1 101 TYR N 1 101 TYR CA 1 101 TYR C 1 102 GLN N -52.29 -32.57 -32.08 -32.69 -31.42 1.15 14 0 "[ . 1 . 2]"
196 . 1 102 GLN N 1 102 GLN CA 1 102 GLN C 1 103 THR N -59.87 -19.27 -18.43 -18.54 -18.57 1.47 18 0 "[ . 1 . 2]"
197 . 1 103 THR N 1 103 THR CA 1 103 THR C 1 104 THR N -58.43 13.45 -59.71 -59.73 -59.85 1.94 1 0 "[ . 1 . 2]"
198 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 GLY N -41.50 22.40 -42.77 -42.70 -42.75 1.81 14 0 "[ . 1 . 2]"
199 . 1 106 VAL N 1 106 VAL CA 1 106 VAL C 1 107 VAL N 115.36 172.34 170.43 172.97 172.79 0.63 2 0 "[ . 1 . 2]"
200 . 1 107 VAL N 1 107 VAL CA 1 107 VAL C 1 108 ASN N 122.20 -166.80 120.98 120.50 120.26 2.53 4 0 "[ . 1 . 2]"
201 . 1 108 ASN N 1 108 ASN CA 1 108 ASN C 1 109 SER N -43.95 -24.01 -26.59 -24.14 -26.70 0.89 8 0 "[ . 1 . 2]"
202 . 1 109 SER N 1 109 SER CA 1 109 SER C 1 110 ARG N -47.41 -30.67 -35.14 -34.84 -43.26 0.68 14 0 "[ . 1 . 2]"
203 . 1 110 ARG N 1 110 ARG CA 1 110 ARG C 1 111 PHE N -52.46 -30.82 -54.58 -55.42 -53.55 2.96 7 0 "[ . 1 . 2]"
204 . 1 111 PHE N 1 111 PHE CA 1 111 PHE C 1 112 ILE N -58.97 -25.85 -50.73 -54.08 -46.46 . . 0 "[ . 1 . 2]"
205 . 1 112 ILE N 1 112 ILE CA 1 112 ILE C 1 113 SER N -49.49 -28.07 -38.31 -29.95 -34.27 . . 0 "[ . 1 . 2]"
206 . 1 113 SER N 1 113 SER CA 1 113 SER C 1 114 GLU N -49.07 -29.79 -40.37 -48.54 -30.25 . . 0 "[ . 1 . 2]"
207 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ILE N -49.71 -36.59 -42.03 -49.83 -36.35 0.24 16 0 "[ . 1 . 2]"
208 . 1 115 ILE N 1 115 ILE CA 1 115 ILE C 1 116 ARG N -52.48 -35.28 -40.54 -49.37 -34.08 1.20 18 0 "[ . 1 . 2]"
209 . 1 116 ARG N 1 116 ARG CA 1 116 ARG C 1 117 SER N -48.80 -33.94 -44.75 -49.30 -38.14 0.50 11 0 "[ . 1 . 2]"
210 . 1 117 SER N 1 117 SER CA 1 117 SER C 1 118 LEU N -51.17 -34.03 -33.91 -33.42 -33.68 0.86 11 0 "[ . 1 . 2]"
211 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 ILE N -56.06 -27.10 -42.41 -42.43 -43.39 . . 0 "[ . 1 . 2]"
212 . 1 119 ILE N 1 119 ILE CA 1 119 ILE C 1 120 GLY N -55.76 -29.70 -39.30 -44.88 -47.24 . . 0 "[ . 1 . 2]"
213 . 1 120 GLY N 1 120 GLY CA 1 120 GLY C 1 121 MET N -58.98 -20.42 -33.70 -38.34 -27.19 . . 0 "[ . 1 . 2]"
214 . 1 121 MET N 1 121 MET CA 1 121 MET C 1 122 PHE N -51.59 -36.57 -40.49 -45.10 -36.47 0.10 15 0 "[ . 1 . 2]"
215 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 ALA N -58.43 -28.37 -38.47 -30.48 -31.96 . . 0 "[ . 1 . 2]"
216 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 GLN N -62.74 -13.50 -32.28 -34.17 -35.69 . . 0 "[ . 1 . 2]"
217 . 1 124 GLN N 1 124 GLN CA 1 124 GLN C 1 125 ALA N -67.06 -17.04 -33.55 -32.10 -32.67 . . 0 "[ . 1 . 2]"
218 . 1 125 ALA N 1 125 ALA CA 1 125 ALA C 1 126 SER N -59.01 -18.29 -33.58 -35.72 -37.76 . . 0 "[ . 1 . 2]"
219 . 1 126 SER N 1 126 SER CA 1 126 SER C 1 127 ALA N -58.57 -12.35 -29.05 -22.80 -24.30 . . 0 "[ . 1 . 2]"
220 . 1 127 ALA N 1 127 ALA CA 1 127 ALA C 1 128 ASN N -59.09 -12.07 -21.73 -28.39 -11.96 0.11 18 0 "[ . 1 . 2]"
221 . 1 128 ASN N 1 128 ASN CA 1 128 ASN C 1 129 ASP N -64.34 0.90 -23.21 -18.78 -21.22 . . 0 "[ . 1 . 2]"
222 . 1 129 ASP N 1 129 ASP CA 1 129 ASP C 1 130 VAL N -64.34 0.90 -43.46 -43.29 -44.16 1.48 17 0 "[ . 1 . 2]"
223 . 1 130 VAL N 1 130 VAL CA 1 130 VAL C 1 131 TYR N -62.11 -11.91 -29.35 -30.13 -30.44 . . 0 "[ . 1 . 2]"
224 . 1 132 ALA N 1 132 ALA CA 1 132 ALA C 1 133 SER N 70.39 -156.39 118.34 86.61 128.43 . . 0 "[ . 1 . 2]"
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