NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408021 |
1ykg   |
4985 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1ykg
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 204
_TA_constraint_stats_list.Viol_count 337
_TA_constraint_stats_list.Viol_total 28138.83
_TA_constraint_stats_list.Viol_max 33.27
_TA_constraint_stats_list.Viol_rms 3.13
_TA_constraint_stats_list.Viol_average_all_restraints 0.61
_TA_constraint_stats_list.Viol_average_violations_only 5.57
_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 12 ILE N 1 12 ILE CA 1 12 ILE C 1 13 THR N 104.00 144.00 136.10 126.15 147.75 3.75 14 0 "[ . 1 .]"
2 . 1 12 ILE C 1 13 THR N 1 13 THR CA 1 13 THR C -131.00 -91.00 -113.73 -114.00 -115.68 . . 0 "[ . 1 .]"
3 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 ILE N 105.00 145.00 119.36 120.43 119.14 . . 0 "[ . 1 .]"
4 . 1 13 THR C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -136.00 -96.00 -109.21 -115.43 -106.48 . . 0 "[ . 1 .]"
5 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 ILE N 122.00 162.00 123.56 121.14 126.89 0.86 10 0 "[ . 1 .]"
6 . 1 14 ILE C 1 15 ILE N 1 15 ILE CA 1 15 ILE C -131.00 -91.00 -108.03 -111.82 -103.77 . . 0 "[ . 1 .]"
7 . 1 15 ILE N 1 15 ILE CA 1 15 ILE C 1 16 SER N 122.00 162.00 135.09 133.53 137.75 . . 0 "[ . 1 .]"
8 . 1 15 ILE C 1 16 SER N 1 16 SER CA 1 16 SER C -137.00 -97.00 -118.16 -121.31 -114.92 . . 0 "[ . 1 .]"
9 . 1 16 SER N 1 16 SER CA 1 16 SER C 1 17 ALA N 107.00 147.00 129.59 126.89 133.42 . . 0 "[ . 1 .]"
10 . 1 16 SER C 1 17 ALA N 1 17 ALA CA 1 17 ALA C -128.00 -88.00 -126.72 -128.79 -122.91 0.79 2 0 "[ . 1 .]"
11 . 1 17 ALA N 1 17 ALA CA 1 17 ALA C 1 18 SER N 109.00 149.00 104.77 106.12 105.65 6.33 6 4 "[ .+ * *- .]"
12 . 1 17 ALA C 1 18 SER N 1 18 SER CA 1 18 SER C -129.00 -89.00 -131.05 -134.00 -128.32 5.00 5 1 "[ + 1 .]"
13 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 GLN N 95.00 135.00 137.07 137.64 137.21 4.40 5 0 "[ . 1 .]"
14 . 1 19 GLN C 1 20 THR N 1 20 THR CA 1 20 THR C -116.00 -76.00 -97.99 -98.01 -98.78 . . 0 "[ . 1 .]"
15 . 1 20 THR N 1 20 THR CA 1 20 THR C 1 21 GLY N -12.00 28.00 -42.49 -45.27 -39.72 33.27 5 15 [****+*****-****]
16 . 1 21 GLY C 1 22 ASN N 1 22 ASN CA 1 22 ASN C -87.00 -47.00 -76.73 -79.15 -74.55 . . 0 "[ . 1 .]"
17 . 1 22 ASN N 1 22 ASN CA 1 22 ASN C 1 23 ALA N -58.00 -18.00 -43.39 -45.06 -46.65 . . 0 "[ . 1 .]"
18 . 1 22 ASN C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -86.00 -46.00 -61.51 -64.61 -59.41 . . 0 "[ . 1 .]"
19 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 ARG N -60.00 -20.00 -31.26 -32.60 -33.96 . . 0 "[ . 1 .]"
20 . 1 23 ALA C 1 24 ARG N 1 24 ARG CA 1 24 ARG C -84.00 -44.00 -62.00 -65.50 -59.97 . . 0 "[ . 1 .]"
21 . 1 24 ARG N 1 24 ARG CA 1 24 ARG C 1 25 ARG N -60.00 -20.00 -46.11 -50.27 -43.79 . . 0 "[ . 1 .]"
22 . 1 24 ARG C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -83.00 -43.00 -62.02 -59.96 -61.12 . . 0 "[ . 1 .]"
23 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 VAL N -61.00 -21.00 -43.04 -47.29 -34.58 . . 0 "[ . 1 .]"
24 . 1 25 ARG C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -88.00 -48.00 -65.56 -68.25 -64.34 . . 0 "[ . 1 .]"
25 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 ALA N -60.00 -20.00 -40.74 -38.64 -41.61 . . 0 "[ . 1 .]"
26 . 1 26 VAL C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -84.00 -44.00 -58.83 -61.31 -56.92 . . 0 "[ . 1 .]"
27 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 GLU N -59.00 -19.00 -41.52 -45.44 -38.80 . . 0 "[ . 1 .]"
28 . 1 27 ALA C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -84.00 -44.00 -63.06 -67.67 -60.32 . . 0 "[ . 1 .]"
29 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 ALA N -61.00 -21.00 -40.21 -37.63 -39.10 . . 0 "[ . 1 .]"
30 . 1 28 GLU C 1 29 ALA N 1 29 ALA CA 1 29 ALA C -84.00 -44.00 -66.02 -65.76 -65.85 . . 0 "[ . 1 .]"
31 . 1 29 ALA N 1 29 ALA CA 1 29 ALA C 1 30 LEU N -60.00 -20.00 -41.03 -41.36 -41.70 . . 0 "[ . 1 .]"
32 . 1 29 ALA C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -87.00 -47.00 -67.24 -70.37 -61.36 . . 0 "[ . 1 .]"
33 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ARG N -61.00 -21.00 -48.69 -48.84 -49.44 . . 0 "[ . 1 .]"
34 . 1 30 LEU C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -88.00 -48.00 -61.75 -65.53 -55.96 . . 0 "[ . 1 .]"
35 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 ASP N -62.00 -22.00 -37.10 -36.86 -37.93 . . 0 "[ . 1 .]"
36 . 1 31 ARG C 1 32 ASP N 1 32 ASP CA 1 32 ASP C -86.00 -46.00 -65.72 -78.02 -55.94 . . 0 "[ . 1 .]"
37 . 1 32 ASP N 1 32 ASP CA 1 32 ASP C 1 33 ASP N -57.00 -17.00 -40.40 -47.09 -35.35 . . 0 "[ . 1 .]"
38 . 1 32 ASP C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -86.00 -46.00 -64.32 -65.07 -65.39 . . 0 "[ . 1 .]"
39 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 LEU N -61.00 -21.00 -35.14 -37.78 -29.59 . . 0 "[ . 1 .]"
40 . 1 33 ASP C 1 34 LEU N 1 34 LEU CA 1 34 LEU C -88.00 -48.00 -77.64 -77.75 -79.23 . . 0 "[ . 1 .]"
41 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 LEU N -57.00 -17.00 -40.03 -45.70 -30.04 . . 0 "[ . 1 .]"
42 . 1 34 LEU C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -82.00 -42.00 -62.77 -69.28 -59.83 . . 0 "[ . 1 .]"
43 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 ALA N -56.00 -16.00 -42.84 -50.54 -38.50 . . 0 "[ . 1 .]"
44 . 1 35 LEU C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -89.00 -49.00 -60.40 -60.75 -63.21 . . 0 "[ . 1 .]"
45 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 ALA N -45.00 -5.00 -30.63 -30.79 -31.12 . . 0 "[ . 1 .]"
46 . 1 36 ALA C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -111.00 -71.00 -87.79 -88.04 -101.02 . . 0 "[ . 1 .]"
47 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 LYS N -16.00 24.00 -0.60 -6.30 -13.06 . . 0 "[ . 1 .]"
48 . 1 40 ASN C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -147.00 -103.00 -117.69 -121.21 -114.32 . . 0 "[ . 1 .]"
49 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 LYS N 118.00 158.00 136.08 138.39 136.50 . . 0 "[ . 1 .]"
50 . 1 41 VAL C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -150.00 -110.00 -116.05 -115.57 -117.08 . . 0 "[ . 1 .]"
51 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 LEU N 115.00 155.00 126.64 131.93 129.89 . . 0 "[ . 1 .]"
52 . 1 42 LYS C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -133.00 -93.00 -114.45 -121.06 -105.73 . . 0 "[ . 1 .]"
53 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 VAL N 97.00 137.00 120.32 115.08 124.54 . . 0 "[ . 1 .]"
54 . 1 43 LEU C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -133.00 -93.00 -134.47 -134.80 -134.99 3.23 1 0 "[ . 1 .]"
55 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 ASN N 117.00 157.00 148.75 145.74 152.39 . . 0 "[ . 1 .]"
56 . 1 44 VAL C 1 45 ASN N 1 45 ASN CA 1 45 ASN C -96.00 -56.00 -84.06 -85.32 -86.11 . . 0 "[ . 1 .]"
57 . 1 45 ASN N 1 45 ASN CA 1 45 ASN C 1 46 ALA N 116.00 156.00 141.78 138.54 144.60 . . 0 "[ . 1 .]"
58 . 1 45 ASN C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -89.00 -49.00 -55.80 -60.26 -50.61 . . 0 "[ . 1 .]"
59 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLY N -42.00 -2.00 -27.74 -22.03 -24.43 . . 0 "[ . 1 .]"
60 . 1 51 PHE C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -92.00 -52.00 -65.42 -63.55 -64.31 . . 0 "[ . 1 .]"
61 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 GLN N -55.00 -15.00 -15.60 -15.72 -19.21 1.01 12 0 "[ . 1 .]"
62 . 1 53 GLN C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -87.00 -47.00 -42.72 -43.85 -45.51 6.19 7 2 "[ . + 1- .]"
63 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 ALA N -39.00 1.00 -28.68 -28.11 -28.77 . . 0 "[ . 1 .]"
64 . 1 56 SER C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -106.00 -66.00 -87.49 -94.02 -83.91 . . 0 "[ . 1 .]"
65 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 LYS N 113.00 153.00 143.98 143.11 138.56 0.34 13 0 "[ . 1 .]"
66 . 1 58 LYS C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -164.00 -114.00 -137.28 -141.25 -135.45 . . 0 "[ . 1 .]"
67 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 LEU N 121.00 161.00 118.09 118.22 118.04 5.28 4 1 "[ +. 1 .]"
68 . 1 59 LEU C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -142.00 -102.00 -126.69 -128.31 -130.58 . . 0 "[ . 1 .]"
69 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 ILE N 101.00 141.00 126.26 116.80 138.18 . . 0 "[ . 1 .]"
70 . 1 60 LEU C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -135.00 -95.00 -114.74 -115.59 -118.24 . . 0 "[ . 1 .]"
71 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 VAL N 107.00 147.00 131.27 127.98 137.24 . . 0 "[ . 1 .]"
72 . 1 61 ILE C 1 62 VAL N 1 62 VAL CA 1 62 VAL C -138.00 -98.00 -120.83 -131.47 -112.78 . . 0 "[ . 1 .]"
73 . 1 62 VAL N 1 62 VAL CA 1 62 VAL C 1 63 VAL N 109.00 149.00 130.69 134.62 132.85 . . 0 "[ . 1 .]"
74 . 1 62 VAL C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -121.00 -81.00 -119.54 -122.55 -114.64 1.55 5 0 "[ . 1 .]"
75 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 THR N 109.00 149.00 117.48 122.06 119.80 . . 0 "[ . 1 .]"
76 . 1 63 VAL C 1 64 THR N 1 64 THR CA 1 64 THR C -148.00 -108.00 -138.16 -138.83 -139.81 . . 0 "[ . 1 .]"
77 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 SER N 111.00 151.00 139.08 139.03 138.39 . . 0 "[ . 1 .]"
78 . 1 64 THR C 1 65 SER N 1 65 SER CA 1 65 SER C -123.00 -83.00 -95.25 -97.50 -93.14 . . 0 "[ . 1 .]"
79 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 THR N 124.00 164.00 168.29 164.92 170.70 6.70 8 6 "[* *** + 1 - .]"
80 . 1 65 SER C 1 66 THR N 1 66 THR CA 1 66 THR C -148.00 -96.00 -114.22 -115.81 -116.23 . . 0 "[ . 1 .]"
81 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 GLN N 117.00 157.00 134.72 130.37 137.74 . . 0 "[ . 1 .]"
82 . 1 66 THR C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -133.00 -85.00 -112.71 -85.15 -98.35 . . 0 "[ . 1 .]"
83 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 GLY N 94.00 162.00 169.04 165.46 171.70 9.70 11 14 "[*******- *+****]"
84 . 1 70 GLY C 1 71 GLU N 1 71 GLU CA 1 71 GLU C -148.00 -86.00 -84.73 -78.84 -79.32 8.07 10 11 "[*** .*** +*-**.]"
85 . 1 71 GLU N 1 71 GLU CA 1 71 GLU C 1 72 PRO N 93.00 159.00 150.77 142.58 162.67 3.67 9 0 "[ . 1 .]"
86 . 1 72 PRO C 1 73 PRO N 1 73 PRO CA 1 73 PRO C -83.00 -43.00 -58.12 -56.11 -58.18 . . 0 "[ . 1 .]"
87 . 1 73 PRO N 1 73 PRO CA 1 73 PRO C 1 74 GLU N 125.00 165.00 140.91 136.45 144.59 . . 0 "[ . 1 .]"
88 . 1 73 PRO C 1 74 GLU N 1 74 GLU CA 1 74 GLU C -87.00 -47.00 -53.64 -56.96 -49.44 . . 0 "[ . 1 .]"
89 . 1 74 GLU N 1 74 GLU CA 1 74 GLU C 1 75 GLU N -48.00 -8.00 -51.17 -49.59 -49.75 25.04 4 1 "[ +. 1 .]"
90 . 1 74 GLU C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -92.00 -52.00 -57.62 -59.77 -61.73 12.59 4 1 "[ +. 1 .]"
91 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ALA N -38.00 2.00 -19.05 -28.88 -1.79 . . 0 "[ . 1 .]"
92 . 1 76 ALA C 1 77 VAL N 1 77 VAL CA 1 77 VAL C -82.00 -42.00 -61.43 -61.53 -62.94 . . 0 "[ . 1 .]"
93 . 1 77 VAL N 1 77 VAL CA 1 77 VAL C 1 78 ALA N -59.00 -19.00 -47.77 -48.35 -48.75 . . 0 "[ . 1 .]"
94 . 1 77 VAL C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -85.00 -45.00 -62.46 -62.61 -62.88 . . 0 "[ . 1 .]"
95 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 LEU N -58.00 -18.00 -43.47 -47.38 -40.98 . . 0 "[ . 1 .]"
96 . 1 78 ALA C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -88.00 -48.00 -62.29 -65.95 -60.15 . . 0 "[ . 1 .]"
97 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 HIS N -63.00 -23.00 -49.75 -51.63 -52.08 . . 0 "[ . 1 .]"
98 . 1 79 LEU C 1 80 HIS N 1 80 HIS CA 1 80 HIS C -84.00 -44.00 -64.39 -64.31 -64.54 . . 0 "[ . 1 .]"
99 . 1 80 HIS N 1 80 HIS CA 1 80 HIS C 1 81 LYS N -66.00 -26.00 -42.73 -44.68 -41.14 . . 0 "[ . 1 .]"
100 . 1 80 HIS C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -83.00 -43.00 -62.15 -62.08 -62.47 . . 0 "[ . 1 .]"
101 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 PHE N -58.00 -18.00 -42.61 -45.93 -34.83 . . 0 "[ . 1 .]"
102 . 1 81 LYS C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -87.00 -47.00 -60.40 -60.85 -61.73 . . 0 "[ . 1 .]"
103 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 LEU N -56.00 -16.00 -50.36 -51.68 -52.28 . . 0 "[ . 1 .]"
104 . 1 82 PHE C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -93.00 -53.00 -58.84 -62.49 -51.46 1.54 10 0 "[ . 1 .]"
105 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 PHE N -49.00 -9.00 -24.80 -31.21 -13.99 . . 0 "[ . 1 .]"
106 . 1 85 SER C 1 86 LYS N 1 86 LYS CA 1 86 LYS C -92.31 -52.31 -66.91 -55.29 -64.23 5.77 10 1 "[ . + .]"
107 . 1 86 LYS N 1 86 LYS CA 1 86 LYS C 1 87 LYS N -42.00 -2.00 -21.00 -62.65 15.67 20.65 15 2 "[ . - 1 +]"
108 . 1 93 ASN C 1 94 THR N 1 94 THR CA 1 94 THR C -128.00 -88.00 -121.03 -116.77 -119.52 10.34 14 2 "[ - . 1 +.]"
109 . 1 94 THR N 1 94 THR CA 1 94 THR C 1 95 ALA N 104.00 144.00 128.53 121.91 137.73 . . 0 "[ . 1 .]"
110 . 1 94 THR C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -134.00 -94.00 -111.21 -111.80 -112.26 . . 0 "[ . 1 .]"
111 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 PHE N 119.00 159.00 150.46 147.07 154.22 . . 0 "[ . 1 .]"
112 . 1 95 ALA C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -151.00 -111.00 -144.39 -147.45 -140.82 . . 0 "[ . 1 .]"
113 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 ALA N 126.00 166.00 164.44 165.90 165.36 1.14 4 0 "[ . 1 .]"
114 . 1 96 PHE C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -157.00 -115.00 -149.35 -151.75 -146.35 . . 0 "[ . 1 .]"
115 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 VAL N 113.00 153.00 136.85 137.18 136.41 . . 0 "[ . 1 .]"
116 . 1 97 ALA C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -151.00 -111.00 -119.10 -119.30 -121.99 . . 0 "[ . 1 .]"
117 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 PHE N 114.00 154.00 135.41 130.39 139.56 . . 0 "[ . 1 .]"
118 . 1 98 VAL C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -139.00 -95.00 -122.69 -126.62 -118.90 . . 0 "[ . 1 .]"
119 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 SER N 106.00 146.00 128.20 130.48 129.58 . . 0 "[ . 1 .]"
120 . 1 99 PHE C 1 100 SER N 1 100 SER CA 1 100 SER C -132.00 -92.00 -121.77 -125.19 -126.56 . . 0 "[ . 1 .]"
121 . 1 100 SER N 1 100 SER CA 1 100 SER C 1 101 LEU N 112.00 154.00 136.90 130.17 142.10 . . 0 "[ . 1 .]"
122 . 1 100 SER C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -130.21 -90.21 -103.55 -119.40 -95.04 . . 0 "[ . 1 .]"
123 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 GLY N 115.57 155.57 126.43 125.56 124.62 . . 0 "[ . 1 .]"
124 . 1 102 GLY C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -147.00 -107.00 -139.81 -142.40 -142.63 . . 0 "[ . 1 .]"
125 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C 1 104 THR N 109.00 155.00 116.79 111.51 126.45 . . 0 "[ . 1 .]"
126 . 1 106 TYR C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -94.00 -54.00 -61.05 -63.10 -63.30 29.62 12 1 "[ . 1 + .]"
127 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 PHE N -60.00 -20.00 -46.64 -45.95 -46.54 28.75 14 1 "[ . 1 +.]"
128 . 1 110 CYS C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -87.00 -47.00 -57.71 -58.25 -58.80 . . 0 "[ . 1 .]"
129 . 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 SER N -61.00 -21.00 -36.74 -35.14 -35.62 . . 0 "[ . 1 .]"
130 . 1 111 GLN C 1 112 SER N 1 112 SER CA 1 112 SER C -85.00 -45.00 -63.20 -61.68 -62.35 . . 0 "[ . 1 .]"
131 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 GLY N -59.00 -19.00 -39.64 -37.52 -38.66 . . 0 "[ . 1 .]"
132 . 1 112 SER C 1 113 GLY N 1 113 GLY CA 1 113 GLY C -87.00 -47.00 -63.19 -66.82 -57.84 . . 0 "[ . 1 .]"
133 . 1 113 GLY N 1 113 GLY CA 1 113 GLY C 1 114 LYS N -59.00 -19.00 -48.33 -52.00 -45.91 . . 0 "[ . 1 .]"
134 . 1 113 GLY C 1 114 LYS N 1 114 LYS CA 1 114 LYS C -86.00 -46.00 -57.31 -59.72 -54.69 . . 0 "[ . 1 .]"
135 . 1 114 LYS N 1 114 LYS CA 1 114 LYS C 1 115 ASP N -59.00 -19.00 -40.84 -44.28 -33.07 . . 0 "[ . 1 .]"
136 . 1 114 LYS C 1 115 ASP N 1 115 ASP CA 1 115 ASP C -84.00 -44.00 -67.08 -71.61 -63.26 . . 0 "[ . 1 .]"
137 . 1 115 ASP N 1 115 ASP CA 1 115 ASP C 1 116 PHE N -65.00 -25.00 -50.86 -52.03 -54.36 . . 0 "[ . 1 .]"
138 . 1 115 ASP C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -84.00 -44.00 -63.01 -61.94 -62.54 . . 0 "[ . 1 .]"
139 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 ASP N -60.00 -20.00 -44.48 -43.72 -44.08 . . 0 "[ . 1 .]"
140 . 1 116 PHE C 1 117 ASP N 1 117 ASP CA 1 117 ASP C -85.00 -45.00 -61.56 -65.39 -58.46 . . 0 "[ . 1 .]"
141 . 1 117 ASP N 1 117 ASP CA 1 117 ASP C 1 118 SER N -61.00 -21.00 -37.76 -35.80 -36.37 . . 0 "[ . 1 .]"
142 . 1 117 ASP C 1 118 SER N 1 118 SER CA 1 118 SER C -90.00 -50.00 -75.32 -77.60 -73.37 . . 0 "[ . 1 .]"
143 . 1 118 SER N 1 118 SER CA 1 118 SER C 1 119 LYS N -58.00 -18.00 -57.99 -60.46 -55.12 2.46 3 0 "[ . 1 .]"
144 . 1 118 SER C 1 119 LYS N 1 119 LYS CA 1 119 LYS C -87.00 -47.00 -55.68 -60.64 -50.90 . . 0 "[ . 1 .]"
145 . 1 119 LYS N 1 119 LYS CA 1 119 LYS C 1 120 LEU N -57.00 -17.00 -43.15 -42.27 -43.81 . . 0 "[ . 1 .]"
146 . 1 119 LYS C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -87.00 -47.00 -57.48 -59.88 -54.61 . . 0 "[ . 1 .]"
147 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 ALA N -61.00 -21.00 -48.06 -52.16 -45.48 . . 0 "[ . 1 .]"
148 . 1 120 LEU C 1 121 ALA N 1 121 ALA CA 1 121 ALA C -84.00 -44.00 -68.70 -71.43 -66.94 . . 0 "[ . 1 .]"
149 . 1 121 ALA N 1 121 ALA CA 1 121 ALA C 1 122 GLU N -56.00 -16.00 -40.25 -40.99 -41.49 . . 0 "[ . 1 .]"
150 . 1 121 ALA C 1 122 GLU N 1 122 GLU CA 1 122 GLU C -85.00 -45.00 -61.36 -63.10 -59.26 . . 0 "[ . 1 .]"
151 . 1 122 GLU N 1 122 GLU CA 1 122 GLU C 1 123 LEU N -54.00 -14.00 -37.32 -36.63 -37.89 . . 0 "[ . 1 .]"
152 . 1 122 GLU C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -103.00 -63.00 -71.83 -70.91 -72.59 . . 0 "[ . 1 .]"
153 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 GLY N -23.00 17.00 -10.62 -24.17 -4.51 1.17 13 0 "[ . 1 .]"
154 . 1 125 GLY C 1 126 GLU N 1 126 GLU CA 1 126 GLU C -132.00 -92.00 -95.53 -96.14 -97.18 . . 0 "[ . 1 .]"
155 . 1 126 GLU N 1 126 GLU CA 1 126 GLU C 1 127 ARG N 95.00 135.00 116.92 113.98 119.94 . . 0 "[ . 1 .]"
156 . 1 127 ARG C 1 128 LEU N 1 128 LEU CA 1 128 LEU C -116.00 -76.00 -74.45 -78.13 -72.21 3.79 1 0 "[ . 1 .]"
157 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C 1 129 LEU N -54.00 -14.00 -40.57 -44.79 -36.90 . . 0 "[ . 1 .]"
158 . 1 129 LEU C 1 130 ASP N 1 130 ASP CA 1 130 ASP C -120.00 -64.00 -61.21 -60.64 -61.00 3.79 14 0 "[ . 1 .]"
159 . 1 130 ASP N 1 130 ASP CA 1 130 ASP C 1 131 ARG N 96.00 136.00 142.02 142.04 141.95 7.37 6 14 "[*** *+******-**]"
160 . 1 131 ARG C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -126.00 -86.00 -112.77 -117.74 -108.31 . . 0 "[ . 1 .]"
161 . 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 ASP N 116.00 156.00 127.18 126.83 126.12 . . 0 "[ . 1 .]"
162 . 1 132 VAL C 1 133 ASP N 1 133 ASP CA 1 133 ASP C -125.00 -85.00 -104.87 -104.80 -106.32 . . 0 "[ . 1 .]"
163 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 ALA N 109.00 149.00 119.96 130.46 129.94 7.55 6 5 "[ .+ -* **.]"
164 . 1 133 ASP C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -141.00 -89.00 -113.58 -125.43 -92.02 . . 0 "[ . 1 .]"
165 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 ASP N 114.00 154.00 140.87 143.17 141.88 . . 0 "[ . 1 .]"
166 . 1 134 ALA C 1 135 ASP N 1 135 ASP CA 1 135 ASP C -126.00 -86.00 -86.43 -86.36 -86.61 0.96 6 0 "[ . 1 .]"
167 . 1 135 ASP N 1 135 ASP CA 1 135 ASP C 1 136 VAL N 127.00 -179.00 -176.49 167.71 -174.49 4.51 13 0 "[ . 1 .]"
168 . 1 136 VAL C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -112.00 -72.00 -75.10 -81.96 -62.08 9.92 1 4 "[+ -.* * .]"
169 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 TYR N -21.00 19.00 29.77 46.00 -27.66 31.23 8 15 [*******+*-*****]
170 . 1 138 TYR C 1 139 GLN N 1 139 GLN CA 1 139 GLN C -81.00 -41.00 -52.57 -52.18 -53.84 . . 0 "[ . 1 .]"
171 . 1 139 GLN N 1 139 GLN CA 1 139 GLN C 1 140 ALA N -57.00 -17.00 -31.81 -37.26 -26.54 . . 0 "[ . 1 .]"
172 . 1 139 GLN C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -84.00 -44.00 -82.96 -82.10 -83.43 1.31 4 0 "[ . 1 .]"
173 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 ALA N -63.00 -23.00 -29.82 -29.38 -30.11 . . 0 "[ . 1 .]"
174 . 1 140 ALA C 1 141 ALA N 1 141 ALA CA 1 141 ALA C -84.00 -44.00 -66.86 -65.09 -65.69 . . 0 "[ . 1 .]"
175 . 1 141 ALA N 1 141 ALA CA 1 141 ALA C 1 142 ALA N -60.00 -20.00 -49.50 -51.65 -46.47 . . 0 "[ . 1 .]"
176 . 1 141 ALA C 1 142 ALA N 1 142 ALA CA 1 142 ALA C -83.00 -43.00 -57.81 -57.39 -58.26 . . 0 "[ . 1 .]"
177 . 1 142 ALA N 1 142 ALA CA 1 142 ALA C 1 143 SER N -62.00 -22.00 -45.01 -48.21 -40.33 . . 0 "[ . 1 .]"
178 . 1 142 ALA C 1 143 SER N 1 143 SER CA 1 143 SER C -84.00 -44.00 -66.52 -66.26 -67.15 . . 0 "[ . 1 .]"
179 . 1 143 SER N 1 143 SER CA 1 143 SER C 1 144 GLU N -63.00 -23.00 -52.40 -53.23 -53.54 . . 0 "[ . 1 .]"
180 . 1 143 SER C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -87.00 -47.00 -59.14 -59.33 -59.83 . . 0 "[ . 1 .]"
181 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 TRP N -62.00 -22.00 -44.34 -47.72 -42.00 . . 0 "[ . 1 .]"
182 . 1 144 GLU C 1 145 TRP N 1 145 TRP CA 1 145 TRP C -87.00 -47.00 -61.74 -60.81 -61.02 . . 0 "[ . 1 .]"
183 . 1 145 TRP N 1 145 TRP CA 1 145 TRP C 1 146 ARG N -59.00 -19.00 -46.20 -47.97 -44.26 . . 0 "[ . 1 .]"
184 . 1 145 TRP C 1 146 ARG N 1 146 ARG CA 1 146 ARG C -84.00 -44.00 -55.27 -58.46 -51.78 . . 0 "[ . 1 .]"
185 . 1 146 ARG N 1 146 ARG CA 1 146 ARG C 1 147 ALA N -64.00 -24.00 -47.94 -50.25 -51.93 . . 0 "[ . 1 .]"
186 . 1 146 ARG C 1 147 ALA N 1 147 ALA CA 1 147 ALA C -79.00 -39.00 -58.32 -56.60 -57.16 . . 0 "[ . 1 .]"
187 . 1 147 ALA N 1 147 ALA CA 1 147 ALA C 1 148 ARG N -59.00 -19.00 -28.13 -29.97 -26.69 . . 0 "[ . 1 .]"
188 . 1 147 ALA C 1 148 ARG N 1 148 ARG CA 1 148 ARG C -86.00 -46.00 -82.37 -84.34 -85.88 . . 0 "[ . 1 .]"
189 . 1 148 ARG N 1 148 ARG CA 1 148 ARG C 1 149 VAL N -65.00 -25.00 -42.02 -44.03 -39.95 . . 0 "[ . 1 .]"
190 . 1 148 ARG C 1 149 VAL N 1 149 VAL CA 1 149 VAL C -88.00 -48.00 -62.45 -62.66 -62.97 . . 0 "[ . 1 .]"
191 . 1 149 VAL N 1 149 VAL CA 1 149 VAL C 1 150 VAL N -59.00 -19.00 -43.76 -48.72 -38.43 . . 0 "[ . 1 .]"
192 . 1 149 VAL C 1 150 VAL N 1 150 VAL CA 1 150 VAL C -86.00 -46.00 -55.14 -53.94 -54.59 . . 0 "[ . 1 .]"
193 . 1 150 VAL N 1 150 VAL CA 1 150 VAL C 1 151 ASP N -63.00 -23.00 -55.92 -58.38 -52.97 . . 0 "[ . 1 .]"
194 . 1 150 VAL C 1 151 ASP N 1 151 ASP CA 1 151 ASP C -83.00 -43.00 -57.17 -62.94 -51.01 . . 0 "[ . 1 .]"
195 . 1 151 ASP N 1 151 ASP CA 1 151 ASP C 1 152 ALA N -59.00 -19.00 -41.17 -45.90 -38.10 . . 0 "[ . 1 .]"
196 . 1 151 ASP C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -88.00 -48.00 -70.56 -73.54 -68.15 . . 0 "[ . 1 .]"
197 . 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 LEU N -59.00 -19.00 -45.57 -47.04 -48.19 . . 0 "[ . 1 .]"
198 . 1 152 ALA C 1 153 LEU N 1 153 LEU CA 1 153 LEU C -84.00 -44.00 -68.19 -84.61 -59.34 0.61 4 0 "[ . 1 .]"
199 . 1 153 LEU N 1 153 LEU CA 1 153 LEU C 1 154 LYS N -61.00 -21.00 -35.94 -37.63 -38.19 4.70 4 0 "[ . 1 .]"
200 . 1 153 LEU C 1 154 LYS N 1 154 LYS CA 1 154 LYS C -84.00 -44.00 -60.41 -84.96 -46.54 0.96 8 0 "[ . 1 .]"
201 . 1 154 LYS N 1 154 LYS CA 1 154 LYS C 1 155 SER N -58.00 -18.00 -35.63 -49.57 -27.57 . . 0 "[ . 1 .]"
202 . 1 154 LYS C 1 155 SER N 1 155 SER CA 1 155 SER C -95.00 -55.00 -81.27 -83.00 -88.60 2.55 13 0 "[ . 1 .]"
203 . 1 155 SER N 1 155 SER CA 1 155 SER C 1 156 ARG N -43.00 -3.00 -9.40 -1.19 -1.60 1.93 14 0 "[ . 1 .]"
204 . 1 156 ARG C 1 157 ALA N 1 157 ALA CA 1 157 ALA C -122.00 -82.00 -108.49 -112.72 -118.34 2.64 13 0 "[ . 1 .]"
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