NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487172 |
2ko8   |
16492 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ko8
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 312
_TA_constraint_stats_list.Viol_count 1789
_TA_constraint_stats_list.Viol_total 171458.73
_TA_constraint_stats_list.Viol_max 98.50
_TA_constraint_stats_list.Viol_rms 4.53
_TA_constraint_stats_list.Viol_average_all_restraints 1.37
_TA_constraint_stats_list.Viol_average_violations_only 4.79
_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 . C 1 2 VAL N 1 2 VAL CA 1 2 VAL C 173.00 -107.00 -106.27 -111.60 -104.73 2.27 1 0 "[ . 1 . 2]"
2 . 2 1 . C 2 2 VAL N 2 2 VAL CA 2 2 VAL C 173.00 -107.00 -106.04 -108.64 -104.99 2.01 10 0 "[ . 1 . 2]"
3 . 3 1 . C 3 2 VAL N 3 2 VAL CA 3 2 VAL C 173.00 -107.00 -106.32 -113.25 -104.81 2.19 10 0 "[ . 1 . 2]"
4 . 1 2 VAL C 1 3 ILE N 1 3 ILE CA 1 3 ILE C 168.00 -112.00 -131.25 -112.95 -113.77 . . 0 "[ . 1 . 2]"
5 . 2 2 VAL C 2 3 ILE N 2 3 ILE CA 2 3 ILE C 168.00 -112.00 -131.61 -152.92 -111.60 0.40 11 0 "[ . 1 . 2]"
6 . 3 2 VAL C 3 3 ILE N 3 3 ILE CA 3 3 ILE C 168.00 -112.00 -130.90 -153.05 -111.50 0.50 1 0 "[ . 1 . 2]"
7 . 1 3 ILE C 1 4 ALA N 1 4 ALA CA 1 4 ALA C 166.00 -114.00 -122.22 -127.34 -118.27 . . 0 "[ . 1 . 2]"
8 . 2 3 ILE C 2 4 ALA N 2 4 ALA CA 2 4 ALA C 166.00 -114.00 -122.45 -127.20 -118.71 . . 0 "[ . 1 . 2]"
9 . 3 3 ILE C 3 4 ALA N 3 4 ALA CA 3 4 ALA C 166.00 -114.00 -122.31 -126.80 -118.48 . . 0 "[ . 1 . 2]"
10 . 1 5 THR C 1 6 ASP N 1 6 ASP CA 1 6 ASP C -164.00 -84.00 -81.80 -83.67 -80.36 3.64 14 0 "[ . 1 . 2]"
11 . 2 5 THR C 2 6 ASP N 2 6 ASP CA 2 6 ASP C -164.00 -84.00 -81.91 -83.51 -80.45 3.55 11 0 "[ . 1 . 2]"
12 . 3 5 THR C 3 6 ASP N 3 6 ASP CA 3 6 ASP C -164.00 -84.00 -81.67 -83.34 -80.20 3.80 11 0 "[ . 1 . 2]"
13 . 1 6 ASP C 1 7 ASP N 1 7 ASP CA 1 7 ASP C 173.00 -107.00 -102.96 -102.85 -103.30 5.62 5 6 "[ *+ - 1 . ***2]"
14 . 2 6 ASP C 2 7 ASP N 2 7 ASP CA 2 7 ASP C 173.00 -107.00 -103.00 -103.11 -103.34 6.10 4 6 "[ +* * 1 . - **]"
15 . 3 6 ASP C 3 7 ASP N 3 7 ASP CA 3 7 ASP C 173.00 -107.00 -102.98 -102.87 -103.05 5.71 18 7 "[ -* * 1 * . +**]"
16 . 1 7 ASP C 1 8 LEU N 1 8 LEU CA 1 8 LEU C 171.00 -109.00 -117.34 -114.71 -117.92 0.58 5 0 "[ . 1 . 2]"
17 . 2 7 ASP C 2 8 LEU N 2 8 LEU CA 2 8 LEU C 171.00 -109.00 -116.85 -116.88 -118.22 . . 0 "[ . 1 . 2]"
18 . 3 7 ASP C 3 8 LEU N 3 8 LEU CA 3 8 LEU C 171.00 -109.00 -117.50 -115.20 -117.06 . . 0 "[ . 1 . 2]"
19 . 1 8 LEU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -166.00 -86.00 -137.75 -149.00 -126.05 . . 0 "[ . 1 . 2]"
20 . 2 8 LEU C 2 9 GLU N 2 9 GLU CA 2 9 GLU C -166.00 -86.00 -137.76 -149.15 -125.95 . . 0 "[ . 1 . 2]"
21 . 3 8 LEU C 3 9 GLU N 3 9 GLU CA 3 9 GLU C -166.00 -86.00 -137.71 -148.85 -126.23 . . 0 "[ . 1 . 2]"
22 . 1 9 GLU C 1 10 VAL N 1 10 VAL CA 1 10 VAL C 161.00 -119.00 -129.31 -135.05 -125.42 . . 0 "[ . 1 . 2]"
23 . 2 9 GLU C 2 10 VAL N 2 10 VAL CA 2 10 VAL C 161.00 -119.00 -129.69 -135.69 -125.69 . . 0 "[ . 1 . 2]"
24 . 3 9 GLU C 3 10 VAL N 3 10 VAL CA 3 10 VAL C 161.00 -119.00 -129.52 -136.34 -124.69 . . 0 "[ . 1 . 2]"
25 . 1 10 VAL C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -149.00 -69.00 -64.22 -65.32 -63.02 5.98 8 8 "[*** . + - * .** 2]"
26 . 2 10 VAL C 2 11 ALA N 2 11 ALA CA 2 11 ALA C -149.00 -69.00 -64.43 -65.56 -63.05 5.95 17 4 "[- . * * . + 2]"
27 . 3 10 VAL C 3 11 ALA N 3 11 ALA CA 3 11 ALA C -149.00 -69.00 -64.36 -65.26 -63.31 5.69 8 5 "[ - + 1* * . * 2]"
28 . 1 13 PRO C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -160.00 -140.00 -151.57 -163.20 -143.56 3.20 14 0 "[ . 1 . 2]"
29 . 2 13 PRO C 2 14 LYS N 2 14 LYS CA 2 14 LYS C -160.00 -140.00 -151.80 -163.46 -140.26 3.46 9 0 "[ . 1 . 2]"
30 . 3 13 PRO C 3 14 LYS N 3 14 LYS CA 3 14 LYS C -160.00 -140.00 -151.30 -163.77 -142.79 3.77 14 0 "[ . 1 . 2]"
31 . 1 14 LYS C 1 15 CYS N 1 15 CYS CA 1 15 CYS C 155.00 -125.00 -116.61 -119.35 -113.73 11.27 19 20 [**************-***+*]
32 . 2 14 LYS C 2 15 CYS N 2 15 CYS CA 2 15 CYS C 155.00 -125.00 -116.43 -118.59 -113.75 11.25 14 20 [*******-*****+******]
33 . 3 14 LYS C 3 15 CYS N 3 15 CYS CA 3 15 CYS C 155.00 -125.00 -116.23 -118.18 -114.06 10.94 1 20 [+*************-*****]
34 . 1 15 CYS C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -176.00 -96.00 -90.92 -90.66 -90.86 7.48 11 13 "[-** ** * 1+* *** **]"
35 . 2 15 CYS C 2 16 GLU N 2 16 GLU CA 2 16 GLU C -176.00 -96.00 -93.54 -90.33 -90.50 6.67 15 15 "[*** .* **** **+-* **]"
36 . 3 15 CYS C 3 16 GLU N 3 16 GLU CA 3 16 GLU C -176.00 -96.00 -90.93 -99.91 -88.82 7.18 15 14 "[*-* .* * ** **+** **]"
37 . 1 16 GLU C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -141.00 -121.00 -148.15 -149.87 -146.78 8.87 15 20 [**************+*-***]
38 . 2 16 GLU C 2 17 ARG N 2 17 ARG CA 2 17 ARG C -141.00 -121.00 -148.09 -150.25 -146.59 9.25 3 20 [**+*************-***]
39 . 3 16 GLU C 3 17 ARG N 3 17 ARG CA 3 17 ARG C -141.00 -121.00 -147.84 -149.25 -146.44 8.25 3 20 [**+**-**************]
40 . 1 17 ARG C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -165.00 -85.00 -126.37 -126.81 -130.32 . . 0 "[ . 1 . 2]"
41 . 2 17 ARG C 2 18 ALA N 2 18 ALA CA 2 18 ALA C -165.00 -85.00 -125.61 -128.57 -132.68 . . 0 "[ . 1 . 2]"
42 . 3 17 ARG C 3 18 ALA N 3 18 ALA CA 3 18 ALA C -165.00 -85.00 -126.77 -131.81 -134.04 . . 0 "[ . 1 . 2]"
43 . 1 19 GLY C 1 20 GLU N 1 20 GLU CA 1 20 GLU C 172.00 -108.00 -153.04 -170.42 -135.06 . . 0 "[ . 1 . 2]"
44 . 2 19 GLY C 2 20 GLU N 2 20 GLU CA 2 20 GLU C 172.00 -108.00 -153.41 -170.48 -137.73 . . 0 "[ . 1 . 2]"
45 . 3 19 GLY C 3 20 GLU N 3 20 GLU CA 3 20 GLU C 172.00 -108.00 -153.18 -171.23 -137.86 . . 0 "[ . 1 . 2]"
46 . 1 20 GLU C 1 21 ILE N 1 21 ILE CA 1 21 ILE C 166.00 -114.00 -134.76 -143.62 -174.93 . . 0 "[ . 1 . 2]"
47 . 2 20 GLU C 2 21 ILE N 2 21 ILE CA 2 21 ILE C 166.00 -114.00 -133.43 -145.37 -123.06 . . 0 "[ . 1 . 2]"
48 . 3 20 GLU C 3 21 ILE N 3 21 ILE CA 3 21 ILE C 166.00 -114.00 -133.14 -145.94 -123.00 . . 0 "[ . 1 . 2]"
49 . 1 23 GLY C 1 24 THR N 1 24 THR CA 1 24 THR C 160.00 -120.00 -120.55 -124.83 -118.62 1.38 18 0 "[ . 1 . 2]"
50 . 2 23 GLY C 2 24 THR N 2 24 THR CA 2 24 THR C 160.00 -120.00 -122.59 -131.32 -118.28 1.72 4 0 "[ . 1 . 2]"
51 . 3 23 GLY C 3 24 THR N 3 24 THR CA 3 24 THR C 160.00 -120.00 -123.02 -122.74 -122.93 1.29 4 0 "[ . 1 . 2]"
52 . 1 25 PRO C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -147.00 -67.00 -83.45 -93.20 -69.94 . . 0 "[ . 1 . 2]"
53 . 2 25 PRO C 2 26 CYS N 2 26 CYS CA 2 26 CYS C -147.00 -67.00 -83.03 -97.66 -73.54 . . 0 "[ . 1 . 2]"
54 . 3 25 PRO C 3 26 CYS N 3 26 CYS CA 3 26 CYS C -147.00 -67.00 -84.08 -97.19 -78.32 . . 0 "[ . 1 . 2]"
55 . 1 27 PRO C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -179.00 -99.00 -124.30 -132.75 -109.45 . . 0 "[ . 1 . 2]"
56 . 2 27 PRO C 2 28 ALA N 2 28 ALA CA 2 28 ALA C -179.00 -99.00 -123.56 -131.35 -107.16 . . 0 "[ . 1 . 2]"
57 . 3 27 PRO C 3 28 ALA N 3 28 ALA CA 3 28 ALA C -179.00 -99.00 -124.16 -132.83 -110.15 . . 0 "[ . 1 . 2]"
58 . 1 28 ALA C 1 29 CYS N 1 29 CYS CA 1 29 CYS C 149.00 -131.00 -130.69 -138.39 -123.24 7.76 6 2 "[ .+ 1 . -]"
59 . 2 28 ALA C 2 29 CYS N 2 29 CYS CA 2 29 CYS C 149.00 -131.00 -130.87 -137.47 -122.61 8.39 6 2 "[ .+ 1 . -]"
60 . 3 28 ALA C 3 29 CYS N 3 29 CYS CA 3 29 CYS C 149.00 -131.00 -130.19 -137.02 -122.31 8.69 6 2 "[ .+ 1 . -]"
61 . 1 29 CYS C 1 40 GLY N 1 30 SER CA 1 30 SER C -146.00 -126.00 -87.94 -100.60 -27.50 98.50 15 20 [******-*******+*****]
62 . 2 29 CYS C 2 40 GLY N 2 30 SER CA 2 30 SER C -146.00 -126.00 -88.29 -100.51 -28.89 97.11 15 20 [******-*******+*****]
63 . 3 29 CYS C 3 40 GLY N 3 30 SER CA 3 30 SER C -146.00 -126.00 -87.74 -100.12 -28.17 97.83 15 20 [******-*******+*****]
64 . 1 31 GLY C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -176.00 -96.00 -117.42 -127.99 -100.08 . . 0 "[ . 1 . 2]"
65 . 2 31 GLY C 2 32 LYS N 2 32 LYS CA 2 32 LYS C -176.00 -96.00 -118.65 -128.16 -100.60 . . 0 "[ . 1 . 2]"
66 . 3 31 GLY C 3 32 LYS N 3 32 LYS CA 3 32 LYS C -176.00 -96.00 -117.88 -128.19 -101.97 . . 0 "[ . 1 . 2]"
67 . 1 33 GLY C 1 34 VAL N 1 34 VAL CA 1 34 VAL C 173.00 -107.00 -117.23 -131.12 -112.06 . . 0 "[ . 1 . 2]"
68 . 2 33 GLY C 2 34 VAL N 2 34 VAL CA 2 34 VAL C 173.00 -107.00 -117.00 -130.09 -111.15 . . 0 "[ . 1 . 2]"
69 . 3 33 GLY C 3 34 VAL N 3 34 VAL CA 3 34 VAL C 173.00 -107.00 -117.10 -130.99 -112.22 . . 0 "[ . 1 . 2]"
70 . 1 34 VAL C 1 35 ILE N 1 35 ILE CA 1 35 ILE C 155.00 -125.00 -126.22 -130.61 -123.51 1.49 17 0 "[ . 1 . 2]"
71 . 2 34 VAL C 2 35 ILE N 2 35 ILE CA 2 35 ILE C 155.00 -125.00 -126.28 -131.46 -123.66 1.34 19 0 "[ . 1 . 2]"
72 . 3 34 VAL C 3 35 ILE N 3 35 ILE CA 3 35 ILE C 155.00 -125.00 -126.29 -131.59 -123.60 1.40 17 0 "[ . 1 . 2]"
73 . 1 35 ILE C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -169.00 -89.00 -87.76 -88.51 -89.91 2.72 14 0 "[ . 1 . 2]"
74 . 2 35 ILE C 2 36 LEU N 2 36 LEU CA 2 36 LEU C -169.00 -89.00 -87.58 -88.42 -88.98 2.70 14 0 "[ . 1 . 2]"
75 . 3 35 ILE C 3 36 LEU N 3 36 LEU CA 3 36 LEU C -169.00 -89.00 -87.75 -88.57 -89.27 2.83 14 0 "[ . 1 . 2]"
76 . 1 36 LEU C 1 37 THR N 1 37 THR CA 1 37 THR C 172.00 -108.00 -106.06 -107.26 -104.44 3.56 14 0 "[ . 1 . 2]"
77 . 2 36 LEU C 2 37 THR N 2 37 THR CA 2 37 THR C 172.00 -108.00 -106.13 -107.89 -104.06 3.94 14 0 "[ . 1 . 2]"
78 . 3 36 LEU C 3 37 THR N 3 37 THR CA 3 37 THR C 172.00 -108.00 -106.12 -108.05 -104.24 3.76 14 0 "[ . 1 . 2]"
79 . 1 40 GLY C 1 41 TYR N 1 41 TYR CA 1 41 TYR C -157.00 -77.00 -69.66 -70.20 -70.43 8.18 12 20 [***********+*******-]
80 . 2 40 GLY C 2 41 TYR N 2 41 TYR CA 2 41 TYR C -157.00 -77.00 -69.73 -69.66 -69.85 8.41 12 20 [***********+*******-]
81 . 3 40 GLY C 3 41 TYR N 3 41 TYR CA 3 41 TYR C -157.00 -77.00 -69.75 -69.71 -69.91 8.29 12 20 [-**********+********]
82 . 1 41 TYR C 1 42 THR N 1 42 THR CA 1 42 THR C -151.00 -71.00 -70.06 -70.06 -70.25 2.06 9 0 "[ . 1 . 2]"
83 . 2 41 TYR C 2 42 THR N 2 42 THR CA 2 42 THR C -151.00 -71.00 -70.16 -69.37 -69.61 2.22 9 0 "[ . 1 . 2]"
84 . 3 41 TYR C 3 42 THR N 3 42 THR CA 3 42 THR C -151.00 -71.00 -70.30 -69.85 -69.99 2.48 9 0 "[ . 1 . 2]"
85 . 1 42 THR C 1 43 LEU N 1 43 LEU CA 1 43 LEU C -169.00 -89.00 -86.58 -87.58 -85.48 3.52 8 0 "[ . 1 . 2]"
86 . 2 42 THR C 2 43 LEU N 2 43 LEU CA 2 43 LEU C -169.00 -89.00 -86.48 -87.21 -85.37 3.63 8 0 "[ . 1 . 2]"
87 . 3 42 THR C 3 43 LEU N 3 43 LEU CA 3 43 LEU C -169.00 -89.00 -86.44 -87.25 -85.38 3.62 8 0 "[ . 1 . 2]"
88 . 1 43 LEU C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -159.00 -79.00 -82.80 -90.65 -77.73 1.27 12 0 "[ . 1 . 2]"
89 . 2 43 LEU C 2 44 LEU N 2 44 LEU CA 2 44 LEU C -159.00 -79.00 -82.62 -90.28 -77.74 1.26 12 0 "[ . 1 . 2]"
90 . 3 43 LEU C 3 44 LEU N 3 44 LEU CA 3 44 LEU C -159.00 -79.00 -82.34 -91.18 -77.91 1.09 12 0 "[ . 1 . 2]"
91 . 1 44 LEU C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -155.00 -75.00 -71.25 -71.23 -71.32 5.09 13 1 "[ . 1 + . 2]"
92 . 2 44 LEU C 2 45 ASP N 2 45 ASP CA 2 45 ASP C -155.00 -75.00 -71.26 -71.49 -71.73 5.07 13 1 "[ . 1 + . 2]"
93 . 3 44 LEU C 3 45 ASP N 3 45 ASP CA 3 45 ASP C -155.00 -75.00 -71.31 -71.40 -71.56 5.00 5 0 "[ . 1 . 2]"
94 . 1 45 ASP C 1 46 PHE N 1 46 PHE CA 1 46 PHE C -162.00 -82.00 -74.81 -74.17 -74.37 8.40 2 20 [*+****-*************]
95 . 2 45 ASP C 2 46 PHE N 2 46 PHE CA 2 46 PHE C -162.00 -82.00 -74.77 -74.16 -74.56 8.33 5 20 [****+*-*************]
96 . 3 45 ASP C 3 46 PHE N 3 46 PHE CA 3 46 PHE C -162.00 -82.00 -74.77 -73.96 -74.18 8.34 5 20 [****+*-*************]
97 . 1 46 PHE C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -163.00 -83.00 -79.31 -80.47 -77.55 5.45 3 2 "[ + . 1 - . 2]"
98 . 2 46 PHE C 2 47 ILE N 2 47 ILE CA 2 47 ILE C -163.00 -83.00 -79.32 -80.46 -77.62 5.38 3 2 "[ + . 1 - . 2]"
99 . 3 46 PHE C 3 47 ILE N 3 47 ILE CA 3 47 ILE C -163.00 -83.00 -79.25 -80.55 -77.67 5.33 3 2 "[- + . 1 . 2]"
100 . 1 48 GLN C 1 49 LYS N 1 49 LYS CA 1 49 LYS C -165.00 -85.00 -78.03 -79.36 -76.63 8.37 10 20 [*********+*******-**]
101 . 2 48 GLN C 2 49 LYS N 2 49 LYS CA 2 49 LYS C -165.00 -85.00 -78.01 -79.63 -76.39 8.61 10 20 [*-*******+**********]
102 . 3 48 GLN C 3 49 LYS N 3 49 LYS CA 3 49 LYS C -165.00 -85.00 -78.06 -79.40 -76.91 8.09 10 20 [*********+*******-**]
103 . 1 49 LYS C 1 50 HIS N 1 50 HIS CA 1 50 HIS C 157.00 -123.00 -116.93 -118.49 -114.61 8.39 3 19 "[**+*********-** ****]"
104 . 2 49 LYS C 2 50 HIS N 2 50 HIS CA 2 50 HIS C 157.00 -123.00 -116.75 -118.08 -114.56 8.44 3 19 "[**+*********-** ****]"
105 . 3 49 LYS C 3 50 HIS N 3 50 HIS CA 3 50 HIS C 157.00 -123.00 -116.70 -118.13 -114.75 8.25 3 18 "[**+*-******* ** ****]"
106 . 1 50 HIS C 1 51 LEU N 1 51 LEU CA 1 51 LEU C -171.00 -91.00 -122.68 -119.01 -120.45 . . 0 "[ . 1 . 2]"
107 . 2 50 HIS C 2 51 LEU N 2 51 LEU CA 2 51 LEU C -171.00 -91.00 -123.01 -125.60 -127.29 . . 0 "[ . 1 . 2]"
108 . 3 50 HIS C 3 51 LEU N 3 51 LEU CA 3 51 LEU C -171.00 -91.00 -122.85 -125.49 -127.19 . . 0 "[ . 1 . 2]"
109 . 1 51 LEU C 1 52 ASN N 1 52 ASN CA 1 52 ASN C 173.00 -107.00 -117.76 -136.74 -105.88 1.12 1 0 "[ . 1 . 2]"
110 . 2 51 LEU C 2 52 ASN N 2 52 ASN CA 2 52 ASN C 173.00 -107.00 -117.70 -136.44 -105.98 1.02 8 0 "[ . 1 . 2]"
111 . 3 51 LEU C 3 52 ASN N 3 52 ASN CA 3 52 ASN C 173.00 -107.00 -117.96 -139.54 -105.58 1.42 3 0 "[ . 1 . 2]"
112 . 1 52 ASN C 1 53 LYS N 1 53 LYS CA 1 53 LYS C 169.00 -111.00 -109.46 -111.33 -108.03 2.97 16 0 "[ . 1 . 2]"
113 . 2 52 ASN C 2 53 LYS N 2 53 LYS CA 2 53 LYS C 169.00 -111.00 -109.68 -111.58 -107.54 3.46 19 0 "[ . 1 . 2]"
114 . 3 52 ASN C 3 53 LYS N 3 53 LYS CA 3 53 LYS C 169.00 -111.00 -109.78 -111.44 -108.26 2.74 19 0 "[ . 1 . 2]"
115 . 1 4 ALA C 1 5 THR N 1 5 THR CA 1 5 THR C -100.00 -20.00 -63.86 -62.36 -63.17 . . 0 "[ . 1 . 2]"
116 . 2 4 ALA C 2 5 THR N 2 5 THR CA 2 5 THR C -100.00 -20.00 -63.52 -64.00 -64.85 . . 0 "[ . 1 . 2]"
117 . 3 4 ALA C 3 5 THR N 3 5 THR CA 3 5 THR C -100.00 -20.00 -63.52 -61.90 -62.48 . . 0 "[ . 1 . 2]"
118 . 1 12 CYS C 1 13 PRO N 1 13 PRO CA 1 13 PRO C -100.00 -20.00 -43.69 -42.12 -44.03 . . 0 "[ . 1 . 2]"
119 . 2 12 CYS C 2 13 PRO N 2 13 PRO CA 2 13 PRO C -100.00 -20.00 -43.59 -42.56 -44.88 . . 0 "[ . 1 . 2]"
120 . 3 12 CYS C 3 13 PRO N 3 13 PRO CA 3 13 PRO C -100.00 -20.00 -43.80 -41.45 -45.15 . . 0 "[ . 1 . 2]"
121 . 1 22 GLU C 1 23 GLY N 1 23 GLY CA 1 23 GLY C 39.00 119.00 64.48 71.48 69.58 . . 0 "[ . 1 . 2]"
122 . 2 22 GLU C 2 23 GLY N 2 23 GLY CA 2 23 GLY C 39.00 119.00 63.53 69.70 67.07 . . 0 "[ . 1 . 2]"
123 . 3 22 GLU C 3 23 GLY N 3 23 GLY CA 3 23 GLY C 39.00 119.00 63.05 67.77 66.15 . . 0 "[ . 1 . 2]"
124 . 1 24 THR C 1 25 PRO N 1 25 PRO CA 1 25 PRO C -101.00 -21.00 -55.85 -54.11 -54.14 . . 0 "[ . 1 . 2]"
125 . 2 24 THR C 2 25 PRO N 2 25 PRO CA 2 25 PRO C -101.00 -21.00 -55.47 -58.28 -53.38 . . 0 "[ . 1 . 2]"
126 . 3 24 THR C 3 25 PRO N 3 25 PRO CA 3 25 PRO C -101.00 -21.00 -55.57 -53.11 -53.47 . . 0 "[ . 1 . 2]"
127 . 1 26 CYS C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -101.00 -21.00 -30.15 -28.43 -29.13 . . 0 "[ . 1 . 2]"
128 . 2 26 CYS C 2 27 PRO N 2 27 PRO CA 2 27 PRO C -101.00 -21.00 -29.80 -33.15 -34.70 . . 0 "[ . 1 . 2]"
129 . 3 26 CYS C 3 27 PRO N 3 27 PRO CA 3 27 PRO C -101.00 -21.00 -29.92 -25.82 -27.84 . . 0 "[ . 1 . 2]"
130 . 1 32 LYS C 1 33 GLY N 1 33 GLY CA 1 33 GLY C 43.00 123.00 114.46 112.27 111.43 . . 0 "[ . 1 . 2]"
131 . 2 32 LYS C 2 33 GLY N 2 33 GLY CA 2 33 GLY C 43.00 123.00 114.76 112.18 111.33 . . 0 "[ . 1 . 2]"
132 . 3 32 LYS C 3 33 GLY N 3 33 GLY CA 3 33 GLY C 43.00 123.00 114.49 112.49 111.84 . . 0 "[ . 1 . 2]"
133 . 1 37 THR C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -101.00 -21.00 -56.27 -58.39 -60.53 . . 0 "[ . 1 . 2]"
134 . 2 37 THR C 2 38 ALA N 2 38 ALA CA 2 38 ALA C -101.00 -21.00 -56.05 -57.18 -60.32 . . 0 "[ . 1 . 2]"
135 . 3 37 THR C 3 38 ALA N 3 38 ALA CA 3 38 ALA C -101.00 -21.00 -55.95 -57.76 -60.31 . . 0 "[ . 1 . 2]"
136 . 1 38 ALA C 1 39 GLN N 1 39 GLN CA 1 39 GLN C -107.00 -27.00 -58.17 -54.33 -57.51 . . 0 "[ . 1 . 2]"
137 . 2 38 ALA C 2 39 GLN N 2 39 GLN CA 2 39 GLN C -107.00 -27.00 -58.10 -54.47 -57.57 . . 0 "[ . 1 . 2]"
138 . 3 38 ALA C 3 39 GLN N 3 39 GLN CA 3 39 GLN C -107.00 -27.00 -57.98 -54.24 -57.14 . . 0 "[ . 1 . 2]"
139 . 1 39 GLN C 1 40 GLY N 1 40 GLY CA 1 40 GLY C -108.00 -28.00 -67.81 -65.81 -66.57 . . 0 "[ . 1 . 2]"
140 . 2 39 GLN C 2 40 GLY N 2 40 GLY CA 2 40 GLY C -108.00 -28.00 -67.79 -64.90 -66.05 . . 0 "[ . 1 . 2]"
141 . 3 39 GLN C 3 40 GLY N 3 40 GLY CA 3 40 GLY C -108.00 -28.00 -67.65 -64.70 -65.95 . . 0 "[ . 1 . 2]"
142 . 1 47 ILE C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -104.00 -24.00 -54.89 -58.41 -50.38 . . 0 "[ . 1 . 2]"
143 . 2 47 ILE C 2 48 GLN N 2 48 GLN CA 2 48 GLN C -104.00 -24.00 -54.83 -58.16 -49.70 . . 0 "[ . 1 . 2]"
144 . 3 47 ILE C 3 48 GLN N 3 48 GLN CA 3 48 GLN C -104.00 -24.00 -54.89 -58.66 -50.87 . . 0 "[ . 1 . 2]"
145 . 1 3 ILE N 1 3 ILE CA 1 3 ILE C 1 4 ALA N 98.00 178.00 135.94 133.64 131.93 . . 0 "[ . 1 . 2]"
146 . 2 3 ILE N 2 3 ILE CA 2 3 ILE C 2 4 ALA N 98.00 178.00 135.95 134.28 131.63 . . 0 "[ . 1 . 2]"
147 . 3 3 ILE N 3 3 ILE CA 3 3 ILE C 3 4 ALA N 98.00 178.00 135.84 133.88 131.96 . . 0 "[ . 1 . 2]"
148 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 THR N 106.00 -170.00 155.58 145.25 172.49 . . 0 "[ . 1 . 2]"
149 . 2 4 ALA N 2 4 ALA CA 2 4 ALA C 2 5 THR N 106.00 -170.00 155.44 146.19 171.43 . . 0 "[ . 1 . 2]"
150 . 3 4 ALA N 3 4 ALA CA 3 4 ALA C 3 5 THR N 106.00 -170.00 155.54 145.68 172.65 . . 0 "[ . 1 . 2]"
151 . 1 5 THR N 1 5 THR CA 1 5 THR C 1 6 ASP N -79.00 1.00 -16.44 -28.72 -9.04 . . 0 "[ . 1 . 2]"
152 . 2 5 THR N 2 5 THR CA 2 5 THR C 2 6 ASP N -79.00 1.00 -16.47 -29.54 -7.30 . . 0 "[ . 1 . 2]"
153 . 3 5 THR N 3 5 THR CA 3 5 THR C 3 6 ASP N -79.00 1.00 -16.60 -29.25 -9.47 . . 0 "[ . 1 . 2]"
154 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 ASP N -73.00 7.00 -5.49 -4.45 -5.01 . . 0 "[ . 1 . 2]"
155 . 2 6 ASP N 2 6 ASP CA 2 6 ASP C 2 7 ASP N -73.00 7.00 -5.48 -6.46 -8.04 . . 0 "[ . 1 . 2]"
156 . 3 6 ASP N 3 6 ASP CA 3 6 ASP C 3 7 ASP N -73.00 7.00 -5.69 -5.36 -5.77 . . 0 "[ . 1 . 2]"
157 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 LEU N -75.00 13.00 -9.11 -21.50 4.88 . . 0 "[ . 1 . 2]"
158 . 2 7 ASP N 2 7 ASP CA 2 7 ASP C 2 8 LEU N -75.00 13.00 -9.44 -22.81 3.99 . . 0 "[ . 1 . 2]"
159 . 3 7 ASP N 3 7 ASP CA 3 7 ASP C 3 8 LEU N -75.00 13.00 -8.76 -22.58 5.10 . . 0 "[ . 1 . 2]"
160 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 VAL N 119.00 -161.00 139.82 133.44 131.65 . . 0 "[ . 1 . 2]"
161 . 2 9 GLU N 2 9 GLU CA 2 9 GLU C 2 10 VAL N 119.00 -161.00 140.16 132.29 130.47 . . 0 "[ . 1 . 2]"
162 . 3 9 GLU N 3 9 GLU CA 3 9 GLU C 3 10 VAL N 119.00 -161.00 140.07 132.42 131.67 . . 0 "[ . 1 . 2]"
163 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 ALA N 118.00 -162.00 143.63 141.53 140.66 . . 0 "[ . 1 . 2]"
164 . 2 10 VAL N 2 10 VAL CA 2 10 VAL C 2 11 ALA N 118.00 -162.00 143.74 140.63 140.08 . . 0 "[ . 1 . 2]"
165 . 3 10 VAL N 3 10 VAL CA 3 10 VAL C 3 11 ALA N 118.00 -162.00 143.63 140.89 140.42 . . 0 "[ . 1 . 2]"
166 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 CYS N 90.00 170.00 133.54 130.04 138.24 . . 0 "[ . 1 . 2]"
167 . 2 11 ALA N 2 11 ALA CA 2 11 ALA C 2 12 CYS N 90.00 170.00 133.56 129.71 137.64 . . 0 "[ . 1 . 2]"
168 . 3 11 ALA N 3 11 ALA CA 3 11 ALA C 3 12 CYS N 90.00 170.00 133.31 129.52 137.77 . . 0 "[ . 1 . 2]"
169 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 CYS N -72.00 8.00 -23.72 -36.76 1.06 . . 0 "[ . 1 . 2]"
170 . 2 14 LYS N 2 14 LYS CA 2 14 LYS C 2 15 CYS N -72.00 8.00 -22.93 -34.42 0.71 . . 0 "[ . 1 . 2]"
171 . 3 14 LYS N 3 14 LYS CA 3 14 LYS C 3 15 CYS N -72.00 8.00 -23.68 -35.90 0.40 . . 0 "[ . 1 . 2]"
172 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 ALA N -73.00 7.00 -21.02 -29.60 -7.56 . . 0 "[ . 1 . 2]"
173 . 2 17 ARG N 2 17 ARG CA 2 17 ARG C 2 18 ALA N -73.00 7.00 -21.61 -30.17 -8.33 . . 0 "[ . 1 . 2]"
174 . 3 17 ARG N 3 17 ARG CA 3 17 ARG C 3 18 ALA N -73.00 7.00 -20.37 -28.59 -8.61 . . 0 "[ . 1 . 2]"
175 . 1 18 ALA N 1 18 ALA CA 1 18 ALA C 1 19 GLY N -74.00 6.00 -35.70 -52.42 -26.27 . . 0 "[ . 1 . 2]"
176 . 2 18 ALA N 2 18 ALA CA 2 18 ALA C 2 19 GLY N -74.00 6.00 -36.12 -52.46 -24.41 . . 0 "[ . 1 . 2]"
177 . 3 18 ALA N 3 18 ALA CA 3 18 ALA C 3 19 GLY N -74.00 6.00 -35.74 -52.67 -25.31 . . 0 "[ . 1 . 2]"
178 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 ILE N 111.00 -169.00 165.07 155.72 -156.64 12.36 1 1 "[+ . 1 . 2]"
179 . 2 20 GLU N 2 20 GLU CA 2 20 GLU C 2 21 ILE N 111.00 -169.00 163.85 164.83 164.32 . . 0 "[ . 1 . 2]"
180 . 3 20 GLU N 3 20 GLU CA 3 20 GLU C 3 21 ILE N 111.00 -169.00 163.26 164.17 163.71 . . 0 "[ . 1 . 2]"
181 . 1 21 ILE N 1 21 ILE CA 1 21 ILE C 1 22 GLU N 100.00 180.00 113.76 121.05 113.23 4.54 1 0 "[ . 1 . 2]"
182 . 2 21 ILE N 2 21 ILE CA 2 21 ILE C 2 22 GLU N 100.00 180.00 114.08 121.17 117.95 0.27 9 0 "[ . 1 . 2]"
183 . 3 21 ILE N 3 21 ILE CA 3 21 ILE C 3 22 GLU N 100.00 180.00 114.03 119.03 112.82 0.14 9 0 "[ . 1 . 2]"
184 . 1 23 GLY N 1 23 GLY CA 1 23 GLY C 1 24 THR N -40.00 40.00 5.98 -2.68 16.04 . . 0 "[ . 1 . 2]"
185 . 2 23 GLY N 2 23 GLY CA 2 23 GLY C 2 24 THR N -40.00 40.00 8.11 -1.84 22.17 . . 0 "[ . 1 . 2]"
186 . 3 23 GLY N 3 23 GLY CA 3 23 GLY C 3 24 THR N -40.00 40.00 8.84 -0.10 16.82 . . 0 "[ . 1 . 2]"
187 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 PRO N 70.00 162.00 149.19 151.30 147.47 . . 0 "[ . 1 . 2]"
188 . 2 24 THR N 2 24 THR CA 2 24 THR C 2 25 PRO N 70.00 162.00 147.99 152.53 148.06 . . 0 "[ . 1 . 2]"
189 . 3 24 THR N 3 24 THR CA 3 24 THR C 3 25 PRO N 70.00 162.00 148.18 152.94 148.09 . . 0 "[ . 1 . 2]"
190 . 1 25 PRO N 1 25 PRO CA 1 25 PRO C 1 26 CYS N 98.00 178.00 130.76 125.43 122.83 . . 0 "[ . 1 . 2]"
191 . 2 25 PRO N 2 25 PRO CA 2 25 PRO C 2 26 CYS N 98.00 178.00 129.88 132.55 130.60 . . 0 "[ . 1 . 2]"
192 . 3 25 PRO N 3 25 PRO CA 3 25 PRO C 3 26 CYS N 98.00 178.00 130.50 130.38 129.06 . . 0 "[ . 1 . 2]"
193 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 PRO N 83.00 163.00 137.30 139.09 137.98 . . 0 "[ . 1 . 2]"
194 . 2 26 CYS N 2 26 CYS CA 2 26 CYS C 2 27 PRO N 83.00 163.00 136.97 140.40 139.38 . . 0 "[ . 1 . 2]"
195 . 3 26 CYS N 3 26 CYS CA 3 26 CYS C 3 27 PRO N 83.00 163.00 137.21 140.41 139.17 . . 0 "[ . 1 . 2]"
196 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 CYS N -72.00 8.00 -6.49 -3.50 -4.69 . . 0 "[ . 1 . 2]"
197 . 2 28 ALA N 2 28 ALA CA 2 28 ALA C 2 29 CYS N -72.00 8.00 -6.57 -4.96 -6.30 . . 0 "[ . 1 . 2]"
198 . 3 28 ALA N 3 28 ALA CA 3 28 ALA C 3 29 CYS N -72.00 8.00 -6.47 -2.94 -4.30 . . 0 "[ . 1 . 2]"
199 . 1 33 GLY N 1 33 GLY CA 1 33 GLY C 1 34 VAL N -36.00 44.00 -38.93 -40.39 -36.15 4.39 2 0 "[ . 1 . 2]"
200 . 2 33 GLY N 2 33 GLY CA 2 33 GLY C 2 34 VAL N -36.00 44.00 -38.95 -40.49 -36.39 4.49 18 0 "[ . 1 . 2]"
201 . 3 33 GLY N 3 33 GLY CA 3 33 GLY C 3 34 VAL N -36.00 44.00 -39.03 -40.12 -36.41 4.12 2 0 "[ . 1 . 2]"
202 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 ILE N 119.00 -161.00 164.90 167.00 165.68 . . 0 "[ . 1 . 2]"
203 . 2 34 VAL N 2 34 VAL CA 2 34 VAL C 2 35 ILE N 119.00 -161.00 164.87 167.39 166.33 . . 0 "[ . 1 . 2]"
204 . 3 34 VAL N 3 34 VAL CA 3 34 VAL C 3 35 ILE N 119.00 -161.00 164.89 166.07 165.12 . . 0 "[ . 1 . 2]"
205 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 LEU N 103.00 -173.00 162.57 163.85 162.84 . . 0 "[ . 1 . 2]"
206 . 2 35 ILE N 2 35 ILE CA 2 35 ILE C 2 36 LEU N 103.00 -173.00 162.38 163.56 162.50 . . 0 "[ . 1 . 2]"
207 . 3 35 ILE N 3 35 ILE CA 3 35 ILE C 3 36 LEU N 103.00 -173.00 162.60 164.14 162.54 . . 0 "[ . 1 . 2]"
208 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 ALA N 127.00 -153.00 177.14 172.73 -177.09 . . 0 "[ . 1 . 2]"
209 . 2 37 THR N 2 37 THR CA 2 37 THR C 2 38 ALA N 127.00 -153.00 176.98 171.76 -176.44 . . 0 "[ . 1 . 2]"
210 . 3 37 THR N 3 37 THR CA 3 37 THR C 3 38 ALA N 127.00 -153.00 176.87 171.68 -177.98 . . 0 "[ . 1 . 2]"
211 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 GLN N -76.00 4.00 -45.22 -48.28 -42.96 . . 0 "[ . 1 . 2]"
212 . 2 38 ALA N 2 38 ALA CA 2 38 ALA C 2 39 GLN N -76.00 4.00 -45.22 -48.02 -43.02 . . 0 "[ . 1 . 2]"
213 . 3 38 ALA N 3 38 ALA CA 3 38 ALA C 3 39 GLN N -76.00 4.00 -45.29 -49.02 -42.39 . . 0 "[ . 1 . 2]"
214 . 1 39 GLN N 1 39 GLN CA 1 39 GLN C 1 40 GLY N -74.00 6.00 -44.94 -53.75 -39.11 . . 0 "[ . 1 . 2]"
215 . 2 39 GLN N 2 39 GLN CA 2 39 GLN C 2 40 GLY N -74.00 6.00 -45.13 -53.34 -39.22 . . 0 "[ . 1 . 2]"
216 . 3 39 GLN N 3 39 GLN CA 3 39 GLN C 3 40 GLY N -74.00 6.00 -45.20 -53.54 -39.81 . . 0 "[ . 1 . 2]"
217 . 1 40 GLY N 1 40 GLY CA 1 40 GLY C 1 41 TYR N -83.00 -3.00 -30.26 -31.43 -31.75 . . 0 "[ . 1 . 2]"
218 . 2 40 GLY N 2 40 GLY CA 2 40 GLY C 2 41 TYR N -83.00 -3.00 -30.17 -31.08 -31.42 . . 0 "[ . 1 . 2]"
219 . 3 40 GLY N 3 40 GLY CA 3 40 GLY C 3 41 TYR N -83.00 -3.00 -30.24 -31.12 -31.47 . . 0 "[ . 1 . 2]"
220 . 1 41 TYR N 1 41 TYR CA 1 41 TYR C 1 42 THR N -80.00 0.00 -33.51 -36.21 -31.83 . . 0 "[ . 1 . 2]"
221 . 2 41 TYR N 2 41 TYR CA 2 41 TYR C 2 42 THR N -80.00 0.00 -33.32 -35.40 -32.01 . . 0 "[ . 1 . 2]"
222 . 3 41 TYR N 3 41 TYR CA 3 41 TYR C 3 42 THR N -80.00 0.00 -33.22 -35.24 -31.04 . . 0 "[ . 1 . 2]"
223 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 LEU N -84.00 -4.00 -32.28 -35.42 -30.34 . . 0 "[ . 1 . 2]"
224 . 2 42 THR N 2 42 THR CA 2 42 THR C 2 43 LEU N -84.00 -4.00 -32.33 -35.30 -30.60 . . 0 "[ . 1 . 2]"
225 . 3 42 THR N 3 42 THR CA 3 42 THR C 3 43 LEU N -84.00 -4.00 -32.33 -35.18 -30.49 . . 0 "[ . 1 . 2]"
226 . 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 LEU N -80.00 0.00 -16.95 -17.72 -20.09 . . 0 "[ . 1 . 2]"
227 . 2 43 LEU N 2 43 LEU CA 2 43 LEU C 2 44 LEU N -80.00 0.00 -17.29 -17.87 -19.12 . . 0 "[ . 1 . 2]"
228 . 3 43 LEU N 3 43 LEU CA 3 43 LEU C 3 44 LEU N -80.00 0.00 -17.41 -14.86 -16.49 . . 0 "[ . 1 . 2]"
229 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 ASP N -81.00 -1.00 -42.87 -45.83 -39.48 . . 0 "[ . 1 . 2]"
230 . 2 44 LEU N 2 44 LEU CA 2 44 LEU C 2 45 ASP N -81.00 -1.00 -42.83 -45.46 -38.53 . . 0 "[ . 1 . 2]"
231 . 3 44 LEU N 3 44 LEU CA 3 44 LEU C 3 45 ASP N -81.00 -1.00 -42.85 -45.33 -38.63 . . 0 "[ . 1 . 2]"
232 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 PHE N -81.00 -1.00 -23.17 -27.28 -19.14 . . 0 "[ . 1 . 2]"
233 . 2 45 ASP N 2 45 ASP CA 2 45 ASP C 2 46 PHE N -81.00 -1.00 -23.14 -28.25 -18.73 . . 0 "[ . 1 . 2]"
234 . 3 45 ASP N 3 45 ASP CA 3 45 ASP C 3 46 PHE N -81.00 -1.00 -23.21 -23.03 -23.11 . . 0 "[ . 1 . 2]"
235 . 1 46 PHE N 1 46 PHE CA 1 46 PHE C 1 47 ILE N -84.00 -4.00 -41.47 -44.26 -37.58 . . 0 "[ . 1 . 2]"
236 . 2 46 PHE N 2 46 PHE CA 2 46 PHE C 2 47 ILE N -84.00 -4.00 -41.58 -44.77 -37.00 . . 0 "[ . 1 . 2]"
237 . 3 46 PHE N 3 46 PHE CA 3 46 PHE C 3 47 ILE N -84.00 -4.00 -41.60 -44.52 -37.85 . . 0 "[ . 1 . 2]"
238 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 GLN N -77.00 3.00 -29.01 -31.63 -33.76 . . 0 "[ . 1 . 2]"
239 . 2 47 ILE N 2 47 ILE CA 2 47 ILE C 2 48 GLN N -77.00 3.00 -29.00 -31.45 -34.12 . . 0 "[ . 1 . 2]"
240 . 3 47 ILE N 3 47 ILE CA 3 47 ILE C 3 48 GLN N -77.00 3.00 -28.85 -29.38 -31.35 . . 0 "[ . 1 . 2]"
241 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 LYS N -84.00 -4.00 -58.99 -62.21 -64.88 . . 0 "[ . 1 . 2]"
242 . 2 48 GLN N 2 48 GLN CA 2 48 GLN C 2 49 LYS N -84.00 -4.00 -58.87 -52.00 -55.83 . . 0 "[ . 1 . 2]"
243 . 3 48 GLN N 3 48 GLN CA 3 48 GLN C 3 49 LYS N -84.00 -4.00 -58.90 -52.12 -55.39 . . 0 "[ . 1 . 2]"
244 . 1 49 LYS N 1 49 LYS CA 1 49 LYS C 1 50 HIS N -80.00 0.00 -1.45 -7.12 3.09 3.09 11 0 "[ . 1 . 2]"
245 . 2 49 LYS N 2 49 LYS CA 2 49 LYS C 2 50 HIS N -80.00 0.00 -1.79 -7.61 2.93 2.93 11 0 "[ . 1 . 2]"
246 . 3 49 LYS N 3 49 LYS CA 3 49 LYS C 3 50 HIS N -80.00 0.00 -1.86 -8.58 2.75 2.75 11 0 "[ . 1 . 2]"
247 . 1 50 HIS N 1 50 HIS CA 1 50 HIS C 1 51 LEU N -83.00 -3.00 -2.85 -3.77 -5.27 2.37 5 0 "[ . 1 . 2]"
248 . 2 50 HIS N 2 50 HIS CA 2 50 HIS C 2 51 LEU N -83.00 -3.00 -2.56 -3.11 -4.86 2.25 2 0 "[ . 1 . 2]"
249 . 3 50 HIS N 3 50 HIS CA 3 50 HIS C 3 51 LEU N -83.00 -3.00 -2.69 -3.06 -4.86 2.64 2 0 "[ . 1 . 2]"
250 . 1 6 ASP HA 1 6 ASP CA 1 6 ASP CB 1 6 ASP HB3 -100.00 -20.00 -64.57 -72.92 -56.92 . . 0 "[ . 1 . 2]"
251 . 2 6 ASP HA 2 6 ASP CA 2 6 ASP CB 2 6 ASP HB3 -100.00 -20.00 -64.76 -71.36 -57.13 . . 0 "[ . 1 . 2]"
252 . 3 6 ASP HA 3 6 ASP CA 3 6 ASP CB 3 6 ASP HB3 -100.00 -20.00 -65.33 -71.06 -58.35 . . 0 "[ . 1 . 2]"
253 . 1 7 ASP HA 1 7 ASP CA 1 7 ASP CB 1 7 ASP HB3 -100.00 -20.00 -62.05 -64.45 -67.57 . . 0 "[ . 1 . 2]"
254 . 2 7 ASP HA 2 7 ASP CA 2 7 ASP CB 2 7 ASP HB3 -100.00 -20.00 -61.95 -63.61 -67.97 . . 0 "[ . 1 . 2]"
255 . 3 7 ASP HA 3 7 ASP CA 3 7 ASP CB 3 7 ASP HB3 -100.00 -20.00 -62.00 -67.25 -69.52 . . 0 "[ . 1 . 2]"
256 . 1 8 LEU HA 1 8 LEU CA 1 8 LEU CB 1 8 LEU HB3 -100.00 -20.00 -73.39 -82.10 -62.23 . . 0 "[ . 1 . 2]"
257 . 2 8 LEU HA 2 8 LEU CA 2 8 LEU CB 2 8 LEU HB3 -100.00 -20.00 -73.37 -81.88 -62.46 . . 0 "[ . 1 . 2]"
258 . 3 8 LEU HA 3 8 LEU CA 3 8 LEU CB 3 8 LEU HB3 -100.00 -20.00 -73.34 -81.47 -62.36 . . 0 "[ . 1 . 2]"
259 . 1 9 GLU HA 1 9 GLU CA 1 9 GLU CB 1 9 GLU HB3 -100.00 -20.00 -69.54 -69.80 -70.02 . . 0 "[ . 1 . 2]"
260 . 2 9 GLU HA 2 9 GLU CA 2 9 GLU CB 2 9 GLU HB3 -100.00 -20.00 -69.64 -69.86 -69.91 . . 0 "[ . 1 . 2]"
261 . 3 9 GLU HA 3 9 GLU CA 3 9 GLU CB 3 9 GLU HB3 -100.00 -20.00 -69.50 -80.20 -61.68 . . 0 "[ . 1 . 2]"
262 . 1 15 CYS HA 1 15 CYS CA 1 15 CYS CB 1 15 CYS HB3 25.00 95.00 57.89 64.07 59.04 . . 0 "[ . 1 . 2]"
263 . 2 15 CYS HA 2 15 CYS CA 2 15 CYS CB 2 15 CYS HB3 25.00 95.00 54.32 61.05 55.24 . . 0 "[ . 1 . 2]"
264 . 3 15 CYS HA 3 15 CYS CA 3 15 CYS CB 3 15 CYS HB3 25.00 95.00 55.18 53.70 51.29 . . 0 "[ . 1 . 2]"
265 . 1 16 GLU HA 1 16 GLU CA 1 16 GLU CB 1 16 GLU HB3 -100.00 -20.00 -16.17 -12.78 -13.28 8.12 19 13 "[** *** 1-***.** +*]"
266 . 2 16 GLU HA 2 16 GLU CA 2 16 GLU CB 2 16 GLU HB3 -100.00 -20.00 -16.52 -48.78 -12.69 7.31 6 14 "[** *.+ * *-***.** **]"
267 . 3 16 GLU HA 3 16 GLU CA 3 16 GLU CB 3 16 GLU HB3 -100.00 -20.00 -16.47 -48.75 -12.54 7.46 20 12 "[** *** 1 **-.** *+]"
268 . 1 22 GLU HA 1 22 GLU CA 1 22 GLU CB 1 22 GLU HB3 140.00 -140.00 -153.57 -171.90 -137.49 2.51 3 0 "[ . 1 . 2]"
269 . 2 22 GLU HA 2 22 GLU CA 2 22 GLU CB 2 22 GLU HB3 140.00 -140.00 -153.47 -178.03 -137.69 2.31 13 0 "[ . 1 . 2]"
270 . 3 22 GLU HA 3 22 GLU CA 3 22 GLU CB 3 22 GLU HB3 140.00 -140.00 -153.61 -171.70 -137.47 2.53 3 0 "[ . 1 . 2]"
271 . 1 29 CYS HA 1 29 CYS CA 1 29 CYS CB 1 29 CYS HB3 20.00 100.00 63.26 53.69 74.25 . . 0 "[ . 1 . 2]"
272 . 2 29 CYS HA 2 29 CYS CA 2 29 CYS CB 2 29 CYS HB3 20.00 100.00 62.89 51.31 73.04 . . 0 "[ . 1 . 2]"
273 . 3 29 CYS HA 3 29 CYS CA 3 29 CYS CB 3 29 CYS HB3 20.00 100.00 64.98 52.24 72.45 . . 0 "[ . 1 . 2]"
274 . 1 32 LYS HA 1 32 LYS CA 1 32 LYS CB 1 32 LYS HB3 -100.00 -20.00 -54.04 -60.77 -64.37 . . 0 "[ . 1 . 2]"
275 . 2 32 LYS HA 2 32 LYS CA 2 32 LYS CB 2 32 LYS HB3 -100.00 -20.00 -53.91 -57.54 -60.52 . . 0 "[ . 1 . 2]"
276 . 3 32 LYS HA 3 32 LYS CA 3 32 LYS CB 3 32 LYS HB3 -100.00 -20.00 -54.05 -60.86 -64.16 . . 0 "[ . 1 . 2]"
277 . 1 39 GLN HA 1 39 GLN CA 1 39 GLN CB 1 39 GLN HB3 140.00 -140.00 -176.99 177.44 170.98 . . 0 "[ . 1 . 2]"
278 . 2 39 GLN HA 2 39 GLN CA 2 39 GLN CB 2 39 GLN HB3 140.00 -140.00 -176.30 177.96 170.83 . . 0 "[ . 1 . 2]"
279 . 3 39 GLN HA 3 39 GLN CA 3 39 GLN CB 3 39 GLN HB3 140.00 -140.00 -176.23 178.00 171.33 . . 0 "[ . 1 . 2]"
280 . 1 41 TYR HA 1 41 TYR CA 1 41 TYR CB 1 41 TYR HB3 -100.00 -20.00 -94.91 -97.00 -97.76 0.99 1 0 "[ . 1 . 2]"
281 . 2 41 TYR HA 2 41 TYR CA 2 41 TYR CB 2 41 TYR HB3 -100.00 -20.00 -94.96 -97.93 -98.85 1.04 1 0 "[ . 1 . 2]"
282 . 3 41 TYR HA 3 41 TYR CA 3 41 TYR CB 3 41 TYR HB3 -100.00 -20.00 -94.91 -97.44 -98.43 1.09 1 0 "[ . 1 . 2]"
283 . 1 43 LEU HA 1 43 LEU CA 1 43 LEU CB 1 43 LEU HB3 -100.00 -20.00 -101.19 -103.74 -98.12 3.74 2 0 "[ . 1 . 2]"
284 . 2 43 LEU HA 2 43 LEU CA 2 43 LEU CB 2 43 LEU HB3 -100.00 -20.00 -101.32 -103.85 -98.23 3.85 2 0 "[ . 1 . 2]"
285 . 3 43 LEU HA 3 43 LEU CA 3 43 LEU CB 3 43 LEU HB3 -100.00 -20.00 -101.20 -103.86 -98.31 3.86 2 0 "[ . 1 . 2]"
286 . 1 46 PHE HA 1 46 PHE CA 1 46 PHE CB 1 46 PHE HB3 140.00 -140.00 -176.04 -175.54 -175.90 . . 0 "[ . 1 . 2]"
287 . 2 46 PHE HA 2 46 PHE CA 2 46 PHE CB 2 46 PHE HB3 140.00 -140.00 -176.06 -176.00 -176.30 . . 0 "[ . 1 . 2]"
288 . 3 46 PHE HA 3 46 PHE CA 3 46 PHE CB 3 46 PHE HB3 140.00 -140.00 -176.12 -175.77 -176.03 . . 0 "[ . 1 . 2]"
289 . 1 48 GLN HA 1 48 GLN CA 1 48 GLN CB 1 48 GLN HB3 -100.00 -20.00 -73.31 -74.32 -75.51 . . 0 "[ . 1 . 2]"
290 . 2 48 GLN HA 2 48 GLN CA 2 48 GLN CB 2 48 GLN HB3 -100.00 -20.00 -73.54 -75.10 -77.05 . . 0 "[ . 1 . 2]"
291 . 3 48 GLN HA 3 48 GLN CA 3 48 GLN CB 3 48 GLN HB3 -100.00 -20.00 -73.43 -74.90 -76.81 . . 0 "[ . 1 . 2]"
292 . 1 49 LYS HA 1 49 LYS CA 1 49 LYS CB 1 49 LYS HB3 140.00 -140.00 176.98 149.06 -150.27 . . 0 "[ . 1 . 2]"
293 . 2 49 LYS HA 2 49 LYS CA 2 49 LYS CB 2 49 LYS HB3 140.00 -140.00 177.15 148.88 -149.79 . . 0 "[ . 1 . 2]"
294 . 3 49 LYS HA 3 49 LYS CA 3 49 LYS CB 3 49 LYS HB3 140.00 -140.00 177.07 148.89 -150.49 . . 0 "[ . 1 . 2]"
295 . 1 50 HIS HA 1 50 HIS CA 1 50 HIS CB 1 50 HIS HB3 -100.00 -20.00 -58.39 -54.94 -55.11 . . 0 "[ . 1 . 2]"
296 . 2 50 HIS HA 2 50 HIS CA 2 50 HIS CB 2 50 HIS HB3 -100.00 -20.00 -58.32 -54.92 -55.21 . . 0 "[ . 1 . 2]"
297 . 3 50 HIS HA 3 50 HIS CA 3 50 HIS CB 3 50 HIS HB3 -100.00 -20.00 -58.41 -55.26 -56.45 . . 0 "[ . 1 . 2]"
298 . 1 52 ASN HA 1 52 ASN CA 1 52 ASN CB 1 52 ASN HB3 -100.00 -20.00 -101.73 -105.40 -93.21 5.40 14 2 "[ . 1 +- 2]"
299 . 2 52 ASN HA 2 52 ASN CA 2 52 ASN CB 2 52 ASN HB3 -100.00 -20.00 -101.62 -105.66 -94.14 5.66 14 1 "[ . 1 +. 2]"
300 . 3 52 ASN HA 3 52 ASN CA 3 52 ASN CB 3 52 ASN HB3 -100.00 -20.00 -101.52 -105.57 -94.33 5.57 14 1 "[ . 1 +. 2]"
301 . 1 53 LYS HA 1 53 LYS CA 1 53 LYS CB 1 53 LYS HB3 -100.00 -20.00 -103.56 -106.53 -97.86 6.53 19 8 "[ ***. 1 * .*-*+2]"
302 . 2 53 LYS HA 2 53 LYS CA 2 53 LYS CB 2 53 LYS HB3 -100.00 -20.00 -103.54 -106.41 -96.96 6.41 18 10 "[ **** 1- * .**+*2]"
303 . 3 53 LYS HA 3 53 LYS CA 3 53 LYS CB 3 53 LYS HB3 -100.00 -20.00 -103.22 -107.08 -95.09 7.08 18 7 "[ * *. 1 - .**+*2]"
304 . 1 13 PRO HA 1 13 PRO CA 1 13 PRO CB 1 13 PRO HB3 160.00 -40.00 -36.64 -38.36 -34.96 5.04 4 1 "[ +. 1 . 2]"
305 . 1 25 PRO HA 1 25 PRO CA 1 25 PRO CB 1 25 PRO HB3 20.00 100.00 18.33 17.40 19.12 2.60 2 0 "[ . 1 . 2]"
306 . 1 27 PRO HA 1 27 PRO CA 1 27 PRO CB 1 27 PRO HB3 160.00 -40.00 -37.06 -37.85 -36.15 3.85 14 0 "[ . 1 . 2]"
307 . 2 13 PRO HA 2 13 PRO CA 2 13 PRO CB 2 13 PRO HB3 160.00 -40.00 -36.65 -39.04 -34.49 5.51 20 1 "[ . 1 . +]"
308 . 2 25 PRO HA 2 25 PRO CA 2 25 PRO CB 2 25 PRO HB3 20.00 100.00 18.24 17.09 19.14 2.91 2 0 "[ . 1 . 2]"
309 . 2 27 PRO HA 2 27 PRO CA 2 27 PRO CB 2 27 PRO HB3 160.00 -40.00 -37.05 -37.45 -36.31 3.69 19 0 "[ . 1 . 2]"
310 . 3 13 PRO HA 3 13 PRO CA 3 13 PRO CB 3 13 PRO HB3 160.00 -40.00 -36.61 -39.01 -34.15 5.85 20 1 "[ . 1 . +]"
311 . 3 25 PRO HA 3 25 PRO CA 3 25 PRO CB 3 25 PRO HB3 20.00 100.00 18.32 17.04 19.16 2.96 2 0 "[ . 1 . 2]"
312 . 3 27 PRO HA 3 27 PRO CA 3 27 PRO CB 3 27 PRO HB3 160.00 -40.00 -37.10 -37.90 -36.24 3.76 17 0 "[ . 1 . 2]"
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