NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474222 |
2jn3   |
15084 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jn3
save_distance_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 230
_TA_constraint_stats_list.Viol_count 720
_TA_constraint_stats_list.Viol_total 151116.14
_TA_constraint_stats_list.Viol_max 53.90
_TA_constraint_stats_list.Viol_rms 5.70
_TA_constraint_stats_list.Viol_average_all_restraints 1.64
_TA_constraint_stats_list.Viol_average_violations_only 10.49
_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 . 1 104 GLY N 1 104 GLY CA 1 104 GLY C 1 105 ASN N -134.00 -106.00 -106.89 -113.34 -118.11 10.26 15 3 "[ . 1 +* -]"
2 . 1 35 LYS C 1 36 PRO N 1 36 PRO CA 1 36 PRO C -180.00 0.00 -73.06 -73.06 -73.07 . . 0 "[ . 1 . 2]"
3 . 1 103 LYS C 1 104 GLY N 1 104 GLY CA 1 104 GLY C 62.00 74.00 80.38 77.76 74.37 11.10 8 15 "[ * *** +******. *-**]"
4 . 1 2 PHE C 1 3 SER N 1 3 SER CA 1 3 SER C -83.00 -43.00 -57.03 -59.17 -51.91 . . 0 "[ . 1 . 2]"
5 . 1 2 PHE C 1 3 SER N 1 3 SER CA 1 3 SER C -180.00 0.00 -57.03 -59.17 -51.91 . . 0 "[ . 1 . 2]"
6 . 1 2 PHE N 1 2 PHE CA 1 2 PHE C 1 3 SER N -49.00 -9.00 -33.18 -59.45 -27.85 10.45 7 1 "[ . + 1 . 2]"
7 . 1 4 GLY C 1 5 THR N 1 5 THR CA 1 5 THR C -143.00 -79.00 -102.33 -114.20 -78.30 0.70 15 0 "[ . 1 . 2]"
8 . 1 4 GLY N 1 4 GLY CA 1 4 GLY C 1 5 THR N 41.00 -139.00 -179.48 -174.06 -175.95 . . 0 "[ . 1 . 2]"
9 . 1 5 THR C 1 6 TRP N 1 6 TRP CA 1 6 TRP C -141.00 -93.00 -123.25 -141.93 -115.92 0.93 15 0 "[ . 1 . 2]"
10 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 TRP N 107.00 151.00 135.57 128.04 155.52 4.52 15 0 "[ . 1 . 2]"
11 . 1 6 TRP N 1 6 TRP CA 1 6 TRP C 1 7 GLN N 116.00 164.00 139.31 144.64 143.51 . . 0 "[ . 1 . 2]"
12 . 1 6 TRP C 1 7 GLN N 1 7 GLN CA 1 7 GLN C -150.00 -82.00 -118.61 -128.82 -94.63 . . 0 "[ . 1 . 2]"
13 . 1 7 GLN N 1 7 GLN CA 1 7 GLN C 1 8 VAL N 97.00 157.00 121.95 113.70 146.34 . . 0 "[ . 1 . 2]"
14 . 1 8 VAL C 1 9 TYR N 1 9 TYR CA 1 9 TYR C -158.00 -82.00 -122.98 -129.71 -133.08 9.14 15 1 "[ . 1 + 2]"
15 . 1 8 VAL N 1 8 VAL CA 1 8 VAL C 1 9 TYR N 108.00 176.00 128.45 112.32 144.88 . . 0 "[ . 1 . 2]"
16 . 1 10 ALA C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -163.00 -87.00 -145.52 -143.11 -143.96 . . 0 "[ . 1 . 2]"
17 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 GLN N 102.00 178.00 138.91 129.57 127.99 . . 0 "[ . 1 . 2]"
18 . 1 11 GLN C 1 12 GLU N 1 12 GLU CA 1 12 GLU C 164.00 -60.00 -105.53 -98.96 -99.82 . . 0 "[ . 1 . 2]"
19 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ASN N 101.00 173.00 146.97 126.48 158.80 . . 0 "[ . 1 . 2]"
20 . 1 13 ASN C 1 14 TYR N 1 14 TYR CA 1 14 TYR C -75.00 -55.00 -53.89 -51.59 -52.98 25.10 17 4 "[ . 1 *-+ *2]"
21 . 1 14 TYR C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -67.00 -59.00 -60.33 -63.54 -64.62 19.48 17 5 "[ . 1 **+ *-]"
22 . 1 14 TYR N 1 14 TYR CA 1 14 TYR C 1 15 GLU N -52.00 -32.00 -53.08 -72.72 -42.95 20.72 17 4 "[ . 1 *-+ *2]"
23 . 1 15 GLU C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -72.00 -56.00 -51.69 -55.78 -56.47 14.30 16 8 "[ * - * * *+* *]"
24 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLU N -50.00 -30.00 -51.24 -61.15 -45.08 11.15 17 5 "[ - . 1 **+ *]"
25 . 1 16 GLU C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -74.00 -54.00 -50.96 -49.22 -49.61 6.76 11 4 "[ .* *+ . - 2]"
26 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 PHE N -51.00 -31.00 -56.59 -59.36 -59.95 13.63 10 13 "[** *-** *+** *. **2]"
27 . 1 17 PHE C 1 18 LEU N 1 18 LEU CA 1 18 LEU C -73.00 -11.00 -55.52 -62.76 -44.49 . . 0 "[ . 1 . 2]"
28 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 LEU N -58.00 -34.00 -54.51 -63.30 -43.83 5.30 15 1 "[ . 1 + 2]"
29 . 1 18 LEU C 1 19 LYS N 1 19 LYS CA 1 19 LYS C -75.00 -55.00 -50.27 -60.33 -36.53 18.47 18 9 "[** *.* 1** .- +*2]"
30 . 1 18 LEU N 1 18 LEU CA 1 18 LEU C 1 19 LYS N -56.00 -28.00 -44.76 -47.35 -49.51 . . 0 "[ . 1 . 2]"
31 . 1 19 LYS C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -75.00 -55.00 -69.87 -68.57 -68.84 0.18 8 0 "[ . 1 . 2]"
32 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 ALA N -54.00 -26.00 -39.20 -44.99 -33.31 . . 0 "[ . 1 . 2]"
33 . 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -115.00 -63.00 -59.69 -58.75 -58.98 8.32 13 6 "[ . *-1* + * *]"
34 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N -56.00 -4.00 -31.83 -41.91 -25.07 . . 0 "[ . 1 . 2]"
35 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 ALA N -24.00 32.00 -21.33 -26.22 -17.14 2.22 13 0 "[ . 1 . 2]"
36 . 1 21 LEU C 1 22 ALA N 1 22 ALA CA 1 22 ALA C 37.00 93.00 79.28 78.86 77.98 . . 0 "[ . 1 . 2]"
37 . 1 23 LEU N 1 23 LEU CA 1 23 LEU C 1 24 PRO N 94.00 178.00 166.71 163.14 170.91 . . 0 "[ . 1 . 2]"
38 . 1 22 ALA C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -164.00 -40.00 -74.85 -74.73 -75.17 . . 0 "[ . 1 . 2]"
39 . 1 22 ALA N 1 22 ALA CA 1 22 ALA C 1 23 LEU N 5.00 61.00 28.24 27.54 26.40 . . 0 "[ . 1 . 2]"
40 . 1 23 LEU C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -75.00 -47.00 -73.09 -73.14 -72.99 . . 0 "[ . 1 . 2]"
41 . 1 24 PRO C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -72.00 -40.00 -57.59 -65.16 -49.70 . . 0 "[ . 1 . 2]"
42 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 GLU N 122.00 170.00 138.39 139.89 139.32 . . 0 "[ . 1 . 2]"
43 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 ASP N -62.00 -6.00 -40.36 -41.25 -44.44 . . 0 "[ . 1 . 2]"
44 . 1 25 GLU C 1 26 ASP N 1 26 ASP CA 1 26 ASP C -70.00 -50.00 -56.00 -67.94 -47.34 2.66 15 0 "[ . 1 . 2]"
45 . 1 26 ASP C 1 27 LEU N 1 27 LEU CA 1 27 LEU C -88.00 -46.00 -87.68 -93.12 -79.54 5.12 11 1 "[ . 1+ . 2]"
46 . 1 26 ASP N 1 26 ASP CA 1 26 ASP C 1 27 LEU N -51.00 -31.00 -31.15 -41.55 -25.30 5.70 1 1 "[+ . 1 . 2]"
47 . 1 27 LEU C 1 28 ILE N 1 28 ILE CA 1 28 ILE C -68.00 -56.00 -72.81 -86.99 -53.48 18.99 4 12 "[**-+** *1** *. **2]"
48 . 1 27 LEU N 1 27 LEU CA 1 27 LEU C 1 28 ILE N -53.00 -33.00 -28.19 -19.41 -21.21 14.17 11 11 "[** *-* *1+* *. **2]"
49 . 1 28 ILE C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -79.00 -37.00 -68.43 -76.43 -56.01 . . 0 "[ . 1 . 2]"
50 . 1 28 ILE N 1 28 ILE CA 1 28 ILE C 1 29 LYS N -53.00 -33.00 -45.94 -41.26 -41.76 3.09 20 0 "[ . 1 . 2]"
51 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 MET N -82.00 0.00 -26.52 -32.67 -19.90 . . 0 "[ . 1 . 2]"
52 . 1 29 LYS C 1 30 MET N 1 30 MET CA 1 30 MET C -104.00 -22.00 -88.05 -90.54 -91.47 . . 0 "[ . 1 . 2]"
53 . 1 30 MET N 1 30 MET CA 1 30 MET C 1 31 ALA N -61.00 -19.00 -24.78 -32.91 -9.74 9.26 20 3 "[ . 1 *- +]"
54 . 1 31 ALA C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -85.00 -49.00 -68.77 -71.86 -72.43 . . 0 "[ . 1 . 2]"
55 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 ARG N -77.00 5.00 2.54 4.92 4.72 6.37 10 1 "[ . + . 2]"
56 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 ASP N -62.00 0.00 -3.07 -11.61 4.17 4.17 4 0 "[ . 1 . 2]"
57 . 1 32 ARG C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -124.00 -60.00 -148.54 -152.36 -153.82 30.45 1 20 [+*-*****************]
58 . 1 33 ASP C 1 34 ILE N 1 34 ILE CA 1 34 ILE C -130.00 -42.00 -123.05 -130.46 -115.81 0.46 16 0 "[ . 1 . 2]"
59 . 1 33 ASP N 1 33 ASP CA 1 33 ASP C 1 34 ILE N -48.00 32.00 48.49 48.66 47.70 27.86 19 20 [******************+-]
60 . 1 34 ILE C 1 35 LYS N 1 35 LYS CA 1 35 LYS C -129.00 -41.00 -92.30 -90.78 -91.19 . . 0 "[ . 1 . 2]"
61 . 1 34 ILE N 1 34 ILE CA 1 34 ILE C 1 35 LYS N 110.00 150.00 115.76 118.46 117.72 1.00 8 0 "[ . 1 . 2]"
62 . 1 36 PRO N 1 36 PRO CA 1 36 PRO C 1 37 ILE N 80.00 180.00 139.33 130.58 154.69 . . 0 "[ . 1 . 2]"
63 . 1 36 PRO C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -146.00 -94.00 -89.26 -100.45 -83.20 10.80 1 9 "[+* . *1** *. - **]"
64 . 1 37 ILE C 1 38 VAL N 1 38 VAL CA 1 38 VAL C -138.00 -98.00 -139.98 -138.36 -139.11 14.92 16 4 "[ *. 1 -+ *]"
65 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 VAL N 99.00 163.00 162.23 153.59 175.25 12.25 16 4 "[ *. 1 -+ *]"
66 . 1 38 VAL C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -147.00 -85.00 -98.71 -96.27 -96.78 . . 0 "[ . 1 . 2]"
67 . 1 38 VAL N 1 38 VAL CA 1 38 VAL C 1 39 GLU N 113.00 145.00 118.18 109.93 132.90 3.07 17 0 "[ . 1 . 2]"
68 . 1 39 GLU C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -140.00 -96.00 -123.74 -139.46 -99.93 . . 0 "[ . 1 . 2]"
69 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 ILE N 107.00 147.00 136.93 137.49 136.60 5.00 16 0 "[ . 1 . 2]"
70 . 1 40 ILE C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -145.00 -77.00 -133.02 -130.33 -131.89 . . 0 "[ . 1 . 2]"
71 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 GLN N 110.00 146.00 130.78 125.23 138.46 . . 0 "[ . 1 . 2]"
72 . 1 41 GLN C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -157.00 -53.00 -71.34 -78.77 -59.30 . . 0 "[ . 1 . 2]"
73 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 GLN N 96.00 140.00 71.48 66.37 63.21 32.79 1 20 [+*************-*****]
74 . 1 42 GLN C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -156.00 -64.00 -161.89 -171.74 -154.79 15.74 2 9 "[*+ . **- .** **]"
75 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 GLY N 72.00 156.00 45.46 38.78 37.82 36.48 16 20 [***************+*-**]
76 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 LYS N 97.00 157.00 166.08 168.96 167.70 16.64 16 19 "[*** -**********+****]"
77 . 1 43 LYS C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 47.00 89.00 119.82 115.15 126.10 37.10 16 20 [***************+*-**]
78 . 1 44 GLY C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -113.00 -89.00 -110.85 -108.52 -109.85 3.59 15 0 "[ . 1 . 2]"
79 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 ASP N -134.00 -106.00 -100.84 -105.25 -96.73 9.27 15 11 "[* -*.** ** * *+* 2]"
80 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 ASP N -27.00 25.00 -3.14 -2.42 -3.11 . . 0 "[ . 1 . 2]"
81 . 1 45 ASP C 1 46 ASP N 1 46 ASP CA 1 46 ASP C -148.00 -60.00 -103.25 -108.89 -98.00 . . 0 "[ . 1 . 2]"
82 . 1 46 ASP C 1 47 PHE N 1 47 PHE CA 1 47 PHE C -155.00 -75.00 -132.05 -132.14 -133.24 . . 0 "[ . 1 . 2]"
83 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 PHE N 98.00 158.00 149.80 139.28 157.75 . . 0 "[ . 1 . 2]"
84 . 1 47 PHE C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -136.00 -100.00 -123.15 -132.35 -114.24 . . 0 "[ . 1 . 2]"
85 . 1 47 PHE N 1 47 PHE CA 1 47 PHE C 1 48 VAL N 112.00 172.00 137.50 131.03 148.79 . . 0 "[ . 1 . 2]"
86 . 1 48 VAL C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -151.00 -89.00 -108.32 -113.75 -100.85 . . 0 "[ . 1 . 2]"
87 . 1 49 VAL C 1 50 THR N 1 50 THR CA 1 50 THR C -143.00 -81.00 -130.35 -126.04 -129.13 . . 0 "[ . 1 . 2]"
88 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 THR N 105.00 147.00 131.80 122.44 135.80 . . 0 "[ . 1 . 2]"
89 . 1 50 THR C 1 51 SER N 1 51 SER CA 1 51 SER C -154.00 -72.00 -88.76 -93.65 -78.63 . . 0 "[ . 1 . 2]"
90 . 1 50 THR N 1 50 THR CA 1 50 THR C 1 51 SER N 93.00 155.00 106.34 103.31 100.27 . . 0 "[ . 1 . 2]"
91 . 1 51 SER C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -138.00 -90.00 -128.77 -128.78 -129.65 . . 0 "[ . 1 . 2]"
92 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 LYS N 101.00 141.00 135.64 128.08 140.15 . . 0 "[ . 1 . 2]"
93 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 THR N 106.00 170.00 120.72 112.80 107.38 . . 0 "[ . 1 . 2]"
94 . 1 52 LYS C 1 53 THR N 1 53 THR CA 1 53 THR C -167.00 -71.00 -105.63 -111.49 -94.00 . . 0 "[ . 1 . 2]"
95 . 1 53 THR N 1 53 THR CA 1 53 THR C 1 54 PRO N 91.00 -169.00 168.95 169.76 169.25 . . 0 "[ . 1 . 2]"
96 . 1 53 THR C 1 54 PRO N 1 54 PRO CA 1 54 PRO C -76.00 -44.00 -73.06 -73.13 -72.96 . . 0 "[ . 1 . 2]"
97 . 1 54 PRO C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -132.00 -64.00 -105.60 -122.45 -93.07 . . 0 "[ . 1 . 2]"
98 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 ARG N -39.00 -3.00 -19.20 -22.01 -27.81 . . 0 "[ . 1 . 2]"
99 . 1 55 ARG C 1 56 GLN N 1 56 GLN CA 1 56 GLN C -172.00 -116.00 -163.67 -168.24 -159.74 . . 0 "[ . 1 . 2]"
100 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 GLN N -42.00 34.00 -21.46 -24.71 -18.41 . . 0 "[ . 1 . 2]"
101 . 1 56 GLN C 1 57 THR N 1 57 THR CA 1 57 THR C -141.00 -81.00 -130.71 -132.60 -133.94 . . 0 "[ . 1 . 2]"
102 . 1 56 GLN N 1 56 GLN CA 1 56 GLN C 1 57 THR N 110.00 172.00 162.05 155.32 169.58 . . 0 "[ . 1 . 2]"
103 . 1 57 THR C 1 58 VAL N 1 58 VAL CA 1 58 VAL C -151.00 -95.00 -128.42 -133.65 -123.24 . . 0 "[ . 1 . 2]"
104 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 VAL N 108.00 148.00 131.03 127.85 124.88 . . 0 "[ . 1 . 2]"
105 . 1 58 VAL C 1 59 THR N 1 59 THR CA 1 59 THR C -133.00 -81.00 -111.67 -115.64 -108.83 . . 0 "[ . 1 . 2]"
106 . 1 58 VAL N 1 58 VAL CA 1 58 VAL C 1 59 THR N 109.00 141.00 128.45 126.90 126.27 . . 0 "[ . 1 . 2]"
107 . 1 59 THR C 1 60 ASN N 1 60 ASN CA 1 60 ASN C -175.00 -95.00 -136.27 -142.46 -143.87 . . 0 "[ . 1 . 2]"
108 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 ASN N 116.00 144.00 140.29 134.80 148.16 4.16 1 0 "[ . 1 . 2]"
109 . 1 60 ASN C 1 61 SER N 1 61 SER CA 1 61 SER C -156.00 -92.00 -142.85 -152.32 -123.12 . . 0 "[ . 1 . 2]"
110 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 SER N 134.00 166.00 149.78 148.98 147.93 2.28 17 0 "[ . 1 . 2]"
111 . 1 61 SER C 1 62 PHE N 1 62 PHE CA 1 62 PHE C -165.00 -123.00 -145.26 -150.50 -151.89 . . 0 "[ . 1 . 2]"
112 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 PHE N 111.00 171.00 132.17 126.29 140.12 . . 0 "[ . 1 . 2]"
113 . 1 62 PHE C 1 63 THR N 1 63 THR CA 1 63 THR C -132.00 -84.00 -117.82 -123.38 -112.20 . . 0 "[ . 1 . 2]"
114 . 1 62 PHE N 1 62 PHE CA 1 62 PHE C 1 63 THR N 120.00 -176.00 170.00 168.59 167.32 . . 0 "[ . 1 . 2]"
115 . 1 63 THR C 1 64 LEU N 1 64 LEU CA 1 64 LEU C -125.00 -33.00 -77.70 -82.71 -69.16 . . 0 "[ . 1 . 2]"
116 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 LEU N 106.00 154.00 147.42 140.88 153.85 . . 0 "[ . 1 . 2]"
117 . 1 64 LEU C 1 65 GLY N 1 65 GLY CA 1 65 GLY C 63.00 103.00 98.92 98.48 95.48 2.54 9 0 "[ . 1 . 2]"
118 . 1 64 LEU N 1 64 LEU CA 1 64 LEU C 1 65 GLY N 84.00 176.00 124.66 123.59 123.34 . . 0 "[ . 1 . 2]"
119 . 1 65 GLY C 1 66 LYS N 1 66 LYS CA 1 66 LYS C -138.00 -56.00 -142.60 -150.89 -132.98 12.89 12 12 "[*** * -*** +**. * 2]"
120 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 LYS N -37.00 27.00 5.72 -3.75 19.03 . . 0 "[ . 1 . 2]"
121 . 1 66 LYS N 1 66 LYS CA 1 66 LYS C 1 67 GLU N 102.00 158.00 144.00 141.12 139.46 . . 0 "[ . 1 . 2]"
122 . 1 66 LYS C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -98.00 -54.00 -69.32 -73.68 -65.91 . . 0 "[ . 1 . 2]"
123 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 ALA N 112.00 144.00 126.77 124.48 123.96 . . 0 "[ . 1 . 2]"
124 . 1 67 GLU C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -132.00 -70.00 -127.06 -138.46 -122.24 6.46 12 1 "[ . 1 + . 2]"
125 . 1 68 ALA C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -145.00 -69.00 -81.16 -82.27 -83.57 . . 0 "[ . 1 . 2]"
126 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 ASP N 108.00 168.00 148.58 142.04 151.52 . . 0 "[ . 1 . 2]"
127 . 1 69 ASP C 1 70 ILE N 1 70 ILE CA 1 70 ILE C -131.00 -91.00 -128.91 -140.31 -121.85 9.31 12 2 "[ . -1 + . 2]"
128 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ILE N 110.00 146.00 137.09 134.86 133.95 . . 0 "[ . 1 . 2]"
129 . 1 70 ILE C 1 71 THR N 1 71 THR CA 1 71 THR C -134.00 -74.00 -118.34 -121.78 -122.80 . . 0 "[ . 1 . 2]"
130 . 1 70 ILE N 1 70 ILE CA 1 70 ILE C 1 71 THR N 92.00 154.00 144.65 141.61 146.71 . . 0 "[ . 1 . 2]"
131 . 1 71 THR C 1 72 THR N 1 72 THR CA 1 72 THR C -110.00 -70.00 -87.82 -89.78 -90.92 . . 0 "[ . 1 . 2]"
132 . 1 71 THR N 1 71 THR CA 1 71 THR C 1 72 THR N 93.00 153.00 135.63 131.32 147.34 . . 0 "[ . 1 . 2]"
133 . 1 72 THR N 1 72 THR CA 1 72 THR C 1 73 MET N 153.00 -179.00 158.20 154.76 162.68 . . 0 "[ . 1 . 2]"
134 . 1 72 THR C 1 73 MET N 1 73 MET CA 1 73 MET C -84.00 -42.00 -69.81 -74.27 -75.80 . . 0 "[ . 1 . 2]"
135 . 1 73 MET C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -122.00 -60.00 -86.14 -92.03 -79.34 . . 0 "[ . 1 . 2]"
136 . 1 73 MET N 1 73 MET CA 1 73 MET C 1 74 ASP N -34.00 -6.00 -14.63 -20.84 -8.11 . . 0 "[ . 1 . 2]"
137 . 1 74 ASP C 1 75 GLY N 1 75 GLY CA 1 75 GLY C 62.00 114.00 106.72 100.52 117.09 3.09 17 0 "[ . 1 . 2]"
138 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 GLY N -24.00 24.00 -14.24 -14.04 -14.92 . . 0 "[ . 1 . 2]"
139 . 1 75 GLY C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -153.00 -41.00 -107.72 -129.63 -96.38 . . 0 "[ . 1 . 2]"
140 . 1 75 GLY N 1 75 GLY CA 1 75 GLY C 1 76 LYS N -36.00 48.00 31.53 50.77 33.74 3.39 14 0 "[ . 1 . 2]"
141 . 1 76 LYS C 1 77 LYS N 1 77 LYS CA 1 77 LYS C -150.00 -82.00 -109.75 -105.79 -107.06 . . 0 "[ . 1 . 2]"
142 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 LYS N 126.00 174.00 133.29 129.65 128.46 . . 0 "[ . 1 . 2]"
143 . 1 77 LYS C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -169.00 -87.00 -165.35 -167.65 -168.72 0.48 4 0 "[ . 1 . 2]"
144 . 1 77 LYS N 1 77 LYS CA 1 77 LYS C 1 78 LEU N 106.00 170.00 135.78 131.32 141.04 . . 0 "[ . 1 . 2]"
145 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 LYS N 123.00 171.00 158.33 155.08 154.37 . . 0 "[ . 1 . 2]"
146 . 1 78 LEU C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -156.00 -64.00 -103.71 -109.19 -95.15 . . 0 "[ . 1 . 2]"
147 . 1 79 LYS C 1 80 CYS N 1 80 CYS CA 1 80 CYS C -178.00 -110.00 -163.89 -155.23 -157.82 1.88 13 0 "[ . 1 . 2]"
148 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 CYS N 120.00 168.00 157.11 143.99 172.06 4.06 15 0 "[ . 1 . 2]"
149 . 1 80 CYS N 1 80 CYS CA 1 80 CYS C 1 81 THR N 117.00 169.00 137.93 133.78 133.66 . . 0 "[ . 1 . 2]"
150 . 1 80 CYS C 1 81 THR N 1 81 THR CA 1 81 THR C -127.00 -63.00 -98.48 -94.97 -95.20 . . 0 "[ . 1 . 2]"
151 . 1 81 THR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -151.00 -69.00 -67.72 -70.36 -72.21 16.27 11 6 "[ .* 1+* .-* *2]"
152 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 VAL N 91.00 153.00 97.58 86.37 107.95 4.63 12 0 "[ . 1 . 2]"
153 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 HIS N 111.00 143.00 144.86 139.03 157.03 14.03 11 6 "[ .* 1+- .** *2]"
154 . 1 82 VAL C 1 83 HIS N 1 83 HIS CA 1 83 HIS C -175.00 -79.00 -145.19 -156.68 -136.55 . . 0 "[ . 1 . 2]"
155 . 1 83 HIS N 1 83 HIS CA 1 83 HIS C 1 84 LEU N 119.00 179.00 154.04 144.51 161.54 . . 0 "[ . 1 . 2]"
156 . 1 83 HIS C 1 84 LEU N 1 84 LEU CA 1 84 LEU C -149.00 -73.00 -101.03 -96.06 -98.13 . . 0 "[ . 1 . 2]"
157 . 1 84 LEU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -174.00 -78.00 -131.54 -144.54 -110.11 . . 0 "[ . 1 . 2]"
158 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 ASN N 89.00 157.00 130.15 131.49 120.44 . . 0 "[ . 1 . 2]"
159 . 1 84 LEU N 1 84 LEU CA 1 84 LEU C 1 85 ALA N 100.00 156.00 122.89 98.83 134.41 1.17 17 0 "[ . 1 . 2]"
160 . 1 85 ALA C 1 86 ASN N 1 86 ASN CA 1 86 ASN C 38.00 70.00 55.22 42.98 64.35 . . 0 "[ . 1 . 2]"
161 . 1 87 GLY C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -147.00 -83.00 -158.70 -174.74 -141.44 27.74 8 16 "[ ******+*** **- * **]"
162 . 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LEU N 117.00 -175.00 125.17 131.84 130.32 4.02 17 0 "[ . 1 . 2]"
163 . 1 89 LEU C 1 90 VAL N 1 90 VAL CA 1 90 VAL C -146.00 -90.00 -146.31 -157.57 -135.47 11.57 8 6 "[ * ** +*1 . - 2]"
164 . 1 89 LEU N 1 89 LEU CA 1 89 LEU C 1 90 VAL N 97.00 153.00 138.80 130.89 129.94 . . 0 "[ . 1 . 2]"
165 . 1 90 VAL C 1 91 THR N 1 91 THR CA 1 91 THR C -150.00 -82.00 -111.57 -115.65 -117.92 . . 0 "[ . 1 . 2]"
166 . 1 90 VAL N 1 90 VAL CA 1 90 VAL C 1 91 THR N 105.00 145.00 118.27 109.30 127.17 . . 0 "[ . 1 . 2]"
167 . 1 91 THR C 1 92 LYS N 1 92 LYS CA 1 92 LYS C -149.00 -85.00 -91.06 -84.59 -85.24 5.42 18 1 "[ . 1 . + 2]"
168 . 1 91 THR N 1 91 THR CA 1 91 THR C 1 92 LYS N 88.00 170.00 95.88 85.87 107.93 2.13 18 0 "[ . 1 . 2]"
169 . 1 92 LYS C 1 93 SER N 1 93 SER CA 1 93 SER C -168.00 -64.00 -152.87 -160.72 -141.67 . . 0 "[ . 1 . 2]"
170 . 1 92 LYS N 1 92 LYS CA 1 92 LYS C 1 93 SER N 98.00 -174.00 161.77 169.50 167.48 . . 0 "[ . 1 . 2]"
171 . 1 93 SER C 1 94 GLU N 1 94 GLU CA 1 94 GLU C -91.00 -29.00 -103.35 -109.74 -95.26 18.74 2 19 "[*+**-******* *******]"
172 . 1 94 GLU C 1 95 LYS N 1 95 LYS CA 1 95 LYS C -136.00 -84.00 -175.07 -175.74 -176.88 53.90 18 20 [***********-*****+**]
173 . 1 94 GLU N 1 94 GLU CA 1 94 GLU C 1 95 LYS N -57.00 -5.00 32.81 22.55 43.82 48.82 18 20 [***********-*****+**]
174 . 1 95 LYS C 1 96 PHE N 1 96 PHE CA 1 96 PHE C 177.00 -99.00 -179.06 171.87 -173.70 5.13 2 1 "[ + . 1 . 2]"
175 . 1 95 LYS N 1 95 LYS CA 1 95 LYS C 1 96 PHE N -26.00 30.00 2.25 6.49 4.97 . . 0 "[ . 1 . 2]"
176 . 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 SER N 123.00 175.00 145.28 139.55 148.42 . . 0 "[ . 1 . 2]"
177 . 1 96 PHE C 1 97 SER N 1 97 SER CA 1 97 SER C -154.00 -106.00 -120.87 -119.40 -120.74 . . 0 "[ . 1 . 2]"
178 . 1 97 SER C 1 98 HIS N 1 98 HIS CA 1 98 HIS C -167.00 -95.00 -143.32 -156.31 -137.47 . . 0 "[ . 1 . 2]"
179 . 1 97 SER N 1 97 SER CA 1 97 SER C 1 98 HIS N 106.00 158.00 159.45 174.75 165.29 16.75 2 3 "[ + . 1-* . 2]"
180 . 1 98 HIS N 1 98 HIS CA 1 98 HIS C 1 99 GLU N 106.00 168.00 140.33 134.56 146.02 . . 0 "[ . 1 . 2]"
181 . 1 98 HIS C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -151.00 -99.00 -153.13 -149.85 -151.19 7.28 9 4 "[ -*. +1 . * 2]"
182 . 1 99 GLU C 1 100 GLN N 1 100 GLN CA 1 100 GLN C -158.00 -98.00 -129.56 -125.54 -125.83 . . 0 "[ . 1 . 2]"
183 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 GLN N 102.00 158.00 126.20 126.49 126.33 . . 0 "[ . 1 . 2]"
184 . 1 100 GLN C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -137.00 -101.00 -154.44 -161.81 -148.20 24.81 2 20 [*+************-*****]
185 . 1 100 GLN N 1 100 GLN CA 1 100 GLN C 1 101 GLU N 106.00 158.00 157.04 159.81 159.07 4.62 3 0 "[ . 1 . 2]"
186 . 1 101 GLU C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -133.00 -97.00 -118.76 -116.00 -116.12 . . 0 "[ . 1 . 2]"
187 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 VAL N 99.00 161.00 154.29 148.72 147.55 2.61 17 0 "[ . 1 . 2]"
188 . 1 102 VAL C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -165.00 -93.00 -132.42 -137.11 -126.76 . . 0 "[ . 1 . 2]"
189 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C 1 104 GLY N 72.00 152.00 94.01 89.14 99.48 . . 0 "[ . 1 . 2]"
190 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 LYS N 110.00 142.00 138.65 141.52 140.84 1.18 2 0 "[ . 1 . 2]"
191 . 1 104 GLY C 1 105 ASN N 1 105 ASN CA 1 105 ASN C -120.00 -72.00 -116.99 -126.87 -103.90 6.87 20 3 "[ . 1 *- +]"
192 . 1 105 ASN C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -164.00 -108.00 -118.14 -123.73 -112.22 . . 0 "[ . 1 . 2]"
193 . 1 105 ASN N 1 105 ASN CA 1 105 ASN C 1 106 GLU N -17.00 19.00 11.08 10.72 9.64 . . 0 "[ . 1 . 2]"
194 . 1 106 GLU C 1 107 MET N 1 107 MET CA 1 107 MET C -155.00 -99.00 -129.34 -125.79 -127.96 . . 0 "[ . 1 . 2]"
195 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 MET N 109.00 177.00 157.50 148.51 167.75 . . 0 "[ . 1 . 2]"
196 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 VAL N 115.00 143.00 140.39 139.88 139.20 0.04 20 0 "[ . 1 . 2]"
197 . 1 107 MET C 1 108 VAL N 1 108 VAL CA 1 108 VAL C -136.00 -96.00 -126.55 -129.48 -123.35 . . 0 "[ . 1 . 2]"
198 . 1 108 VAL C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -151.00 -87.00 -112.01 -108.40 -109.01 . . 0 "[ . 1 . 2]"
199 . 1 108 VAL N 1 108 VAL CA 1 108 VAL C 1 109 GLU N 116.00 140.00 125.87 120.56 133.65 . . 0 "[ . 1 . 2]"
200 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 THR N 109.00 157.00 125.61 109.81 136.17 . . 0 "[ . 1 . 2]"
201 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 ILE N 89.00 151.00 120.22 118.65 117.62 . . 0 "[ . 1 . 2]"
202 . 1 110 THR C 1 111 ILE N 1 111 ILE CA 1 111 ILE C -130.01 -94.01 -128.21 -132.29 -123.31 2.28 19 0 "[ . 1 . 2]"
203 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C 1 112 THR N 108.00 136.00 132.25 128.21 139.41 3.41 1 0 "[ . 1 . 2]"
204 . 1 111 ILE C 1 112 THR N 1 112 THR CA 1 112 THR C -139.00 -91.00 -110.79 -110.55 -111.93 . . 0 "[ . 1 . 2]"
205 . 1 112 THR C 1 113 PHE N 1 113 PHE CA 1 113 PHE C -173.00 -91.00 -157.09 -163.16 -148.11 . . 0 "[ . 1 . 2]"
206 . 1 112 THR N 1 112 THR CA 1 112 THR C 1 113 PHE N 113.00 145.00 135.17 133.49 132.93 . . 0 "[ . 1 . 2]"
207 . 1 113 PHE C 1 114 GLY N 1 114 GLY CA 1 114 GLY C 33.00 73.00 68.40 68.90 67.94 1.07 15 0 "[ . 1 . 2]"
208 . 1 113 PHE N 1 113 PHE CA 1 113 PHE C 1 114 GLY N 96.00 144.00 126.28 128.06 127.65 . . 0 "[ . 1 . 2]"
209 . 1 114 GLY C 1 115 GLY N 1 115 GLY CA 1 115 GLY C 63.00 99.00 71.13 71.08 70.53 . . 0 "[ . 1 . 2]"
210 . 1 114 GLY N 1 114 GLY CA 1 114 GLY C 1 115 GLY N 21.00 63.00 35.93 32.54 39.58 . . 0 "[ . 1 . 2]"
211 . 1 115 GLY C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -147.00 -59.00 -111.54 -116.94 -105.66 . . 0 "[ . 1 . 2]"
212 . 1 115 GLY N 1 115 GLY CA 1 115 GLY C 1 116 VAL N -22.00 22.00 7.55 12.31 11.73 . . 0 "[ . 1 . 2]"
213 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 THR N 117.00 157.00 140.17 139.08 138.36 . . 0 "[ . 1 . 2]"
214 . 1 116 VAL C 1 117 THR N 1 117 THR CA 1 117 THR C -142.00 -86.00 -116.13 -122.28 -112.18 . . 0 "[ . 1 . 2]"
215 . 1 117 THR C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -151.00 -83.00 -111.31 -114.07 -115.00 . . 0 "[ . 1 . 2]"
216 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 LEU N 110.00 138.00 131.96 127.77 135.89 . . 0 "[ . 1 . 2]"
217 . 1 118 LEU C 1 119 ILE N 1 119 ILE CA 1 119 ILE C -131.00 -87.00 -125.12 -132.15 -114.61 1.15 17 0 "[ . 1 . 2]"
218 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 ILE N 106.00 150.00 146.47 148.33 147.36 3.65 19 0 "[ . 1 . 2]"
219 . 1 119 ILE N 1 119 ILE CA 1 119 ILE C 1 120 ARG N 105.00 141.00 101.91 94.55 94.44 10.90 11 11 "[** .** *-+* *. **2]"
220 . 1 119 ILE C 1 120 ARG N 1 120 ARG CA 1 120 ARG C -148.00 -92.00 -98.11 -88.94 -89.54 4.73 11 0 "[ . 1 . 2]"
221 . 1 120 ARG C 1 121 ARG N 1 121 ARG CA 1 121 ARG C -147.00 -91.00 -104.16 -110.41 -98.24 . . 0 "[ . 1 . 2]"
222 . 1 120 ARG N 1 120 ARG CA 1 120 ARG C 1 121 ARG N 113.00 145.00 123.99 114.18 132.26 . . 0 "[ . 1 . 2]"
223 . 1 121 ARG C 1 122 SER N 1 122 SER CA 1 122 SER C -171.00 -91.00 -123.61 -129.69 -119.57 . . 0 "[ . 1 . 2]"
224 . 1 121 ARG N 1 121 ARG CA 1 121 ARG C 1 122 SER N 103.00 151.00 128.50 124.71 122.82 . . 0 "[ . 1 . 2]"
225 . 1 122 SER C 1 123 LYS N 1 123 LYS CA 1 123 LYS C -166.00 -86.00 -116.89 -115.55 -116.98 . . 0 "[ . 1 . 2]"
226 . 1 122 SER N 1 122 SER CA 1 122 SER C 1 123 LYS N 116.00 176.00 153.43 135.46 166.33 . . 0 "[ . 1 . 2]"
227 . 1 123 LYS C 1 124 ARG N 1 124 ARG CA 1 124 ARG C -83.00 -55.00 -82.08 -78.96 -80.27 6.95 16 3 "[ - . 1 .+ *2]"
228 . 1 123 LYS N 1 123 LYS CA 1 123 LYS C 1 124 ARG N 100.00 172.00 154.94 146.35 160.70 . . 0 "[ . 1 . 2]"
229 . 1 124 ARG N 1 124 ARG CA 1 124 ARG C 1 125 VAL N 116.00 160.00 135.68 132.95 139.89 . . 0 "[ . 1 . 2]"
230 . 1 124 ARG C 1 125 VAL N 1 125 VAL CA 1 125 VAL C -180.00 0.00 -119.41 -142.38 -81.88 . . 0 "[ . 1 . 2]"
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