Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485421 | 2k3m RC | 15774 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k3m
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 137
_TA_constraint_stats_list.Viol_count 2200
_TA_constraint_stats_list.Viol_total 4938397.50
_TA_constraint_stats_list.Viol_max 166.81
_TA_constraint_stats_list.Viol_rms 56.25
_TA_constraint_stats_list.Viol_average_all_restraints 40.05
_TA_constraint_stats_list.Viol_average_violations_only 74.82
_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 25 MET N 1 25 MET CA 1 25 MET C 1 26 SER N 82.00 174.00 169.63 129.41 -130.93 55.07 18 4 "[ *. * - . + 2 . 3]"
2 . 1 27 ASP C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -146.00 -46.00 -152.44 -147.98 -149.04 21.36 9 16 "[ * *** +* * * -*2 **. ****]"
3 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 ASP N 91.00 179.00 145.92 91.80 152.58 . . 0 "[ . 1 . 2 . 3]"
4 . 1 28 PHE C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -132.00 -52.00 -151.33 -153.70 -154.23 26.55 17 29 "[******** *****-*+*************]"
5 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 THR N 75.00 159.00 149.21 144.60 154.31 . . 0 "[ . 1 . 2 . 3]"
6 . 1 29 ASP C 1 30 THR N 1 30 THR CA 1 30 THR C -135.00 -67.00 -78.85 -116.72 -37.10 29.90 16 5 "[ . *1 .+ 2 *. *-]"
7 . 1 30 THR N 1 30 THR CA 1 30 THR C 1 31 GLU N 89.00 -175.00 -179.88 -158.29 -161.57 22.30 2 8 "[ + . * 1* * * 2 *. - *]"
8 . 1 30 THR C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -138.00 -50.00 -59.04 -75.76 -47.27 2.73 29 0 "[ . 1 . 2 . 3]"
9 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 ARG N 104.00 160.00 -54.64 -50.68 -52.40 151.63 11 30 [**********+***********-*******]
10 . 1 31 GLU C 1 32 ARG N 1 32 ARG CA 1 32 ARG C 84.00 104.00 -56.92 -72.73 -42.22 156.73 13 30 [************+*********-*******]
11 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 VAL N -16.00 28.00 -54.95 -63.98 -31.49 47.98 4 30 [***+***********-**************]
12 . 1 32 ARG C 1 33 VAL N 1 33 VAL CA 1 33 VAL C -151.00 -31.00 -64.59 -68.96 -57.63 . . 0 "[ . 1 . 2 . 3]"
13 . 1 33 VAL N 1 33 VAL CA 1 33 VAL C 1 34 SER N 104.00 164.00 -50.05 -55.07 -43.67 149.54 14 30 [*************+*-**************]
14 . 1 33 VAL C 1 34 SER N 1 34 SER CA 1 34 SER C -137.00 -17.00 -65.17 -70.09 -56.79 . . 0 "[ . 1 . 2 . 3]"
15 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 ARG N 122.00 166.00 -58.47 -63.32 -63.79 155.54 16 30 [******-********+**************]
16 . 1 34 SER C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -90.00 -46.00 -66.62 -85.76 -57.42 . . 0 "[ . 1 . 2 . 3]"
17 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 ALA N -54.00 -22.00 -53.57 -49.93 -54.28 10.09 16 6 "[ - 1 .+ **2 . **]"
18 . 1 35 ARG C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -77.00 -49.00 -55.12 -70.74 -38.91 10.09 30 1 "[ . 1 . 2 . +]"
19 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 VAL N -58.00 -22.00 -50.94 -61.04 -30.77 3.04 4 0 "[ . 1 . 2 . 3]"
20 . 1 36 ALA C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -76.00 -56.00 -61.01 -63.28 -56.27 . . 0 "[ . 1 . 2 . 3]"
21 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ALA N -65.00 -21.00 -50.92 -55.44 -45.84 . . 0 "[ . 1 . 2 . 3]"
22 . 1 37 VAL C 1 38 ALA N 1 38 ALA CA 1 38 ALA C -82.00 -50.00 -59.28 -66.47 -55.94 . . 0 "[ . 1 . 2 . 3]"
23 . 1 38 ALA N 1 38 ALA CA 1 38 ALA C 1 39 ALA N -48.00 -28.00 -63.02 -61.56 -61.88 18.50 13 30 [**-*********+*****************]
24 . 1 38 ALA C 1 39 ALA N 1 39 ALA CA 1 39 ALA C -79.00 -55.00 -53.32 -57.19 -50.16 4.84 4 0 "[ . 1 . 2 . 3]"
25 . 1 39 ALA N 1 39 ALA CA 1 39 ALA C 1 40 ALA N -62.00 -22.00 -55.32 -59.13 -53.38 . . 0 "[ . 1 . 2 . 3]"
26 . 1 39 ALA C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -87.00 -43.00 -63.52 -66.34 -58.05 . . 0 "[ . 1 . 2 . 3]"
27 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 LEU N -54.00 -22.00 -55.79 -59.95 -53.20 5.95 4 2 "[ +. 1 - . 2 . 3]"
28 . 1 40 ALA C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -79.00 -55.00 -56.42 -58.36 -53.62 1.38 27 0 "[ . 1 . 2 . 3]"
29 . 1 41 LEU N 1 41 LEU CA 1 41 LEU C 1 42 VAL N -54.00 -26.00 -53.94 -57.58 -48.96 3.58 8 0 "[ . 1 . 2 . 3]"
30 . 1 41 LEU C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -92.00 -56.00 -69.67 -71.88 -67.30 . . 0 "[ . 1 . 2 . 3]"
31 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 GLY N -79.00 21.00 -57.65 -60.42 -55.78 . . 0 "[ . 1 . 2 . 3]"
32 . 1 42 VAL C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -82.00 -54.00 -60.84 -62.90 -63.04 . . 0 "[ . 1 . 2 . 3]"
33 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 PRO N -59.00 -15.00 -168.87 -163.96 -165.04 118.43 30 30 [*************-***************+]
34 . 1 43 GLY C 1 44 PRO N 1 44 PRO CA 1 44 PRO C -84.00 -44.00 -80.65 -85.32 -76.46 1.32 7 0 "[ . 1 . 2 . 3]"
35 . 1 44 PRO N 1 44 PRO CA 1 44 PRO C 1 45 GLY N -69.00 -17.00 -26.65 -23.15 -23.63 . . 0 "[ . 1 . 2 . 3]"
36 . 1 44 PRO C 1 45 GLY N 1 45 GLY CA 1 45 GLY C -79.00 -47.00 -60.37 -63.96 -56.73 . . 0 "[ . 1 . 2 . 3]"
37 . 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 GLY N -52.00 -28.00 -59.12 -62.29 -56.21 10.29 10 29 "[ ********+**************-*****]"
38 . 1 45 GLY C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -76.00 -52.00 -57.52 -59.74 -60.33 . . 0 "[ . 1 . 2 . 3]"
39 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 VAL N -60.00 -16.00 -53.39 -54.91 -55.51 . . 0 "[ . 1 . 2 . 3]"
40 . 1 46 GLY C 1 47 VAL N 1 47 VAL CA 1 47 VAL C -89.00 -45.00 -58.37 -58.91 -59.28 . . 0 "[ . 1 . 2 . 3]"
41 . 1 47 VAL N 1 47 VAL CA 1 47 VAL C 1 48 ALA N -49.00 -21.00 -33.22 -34.39 -34.95 . . 0 "[ . 1 . 2 . 3]"
42 . 1 47 VAL C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -108.00 -36.00 -59.18 -64.65 -54.60 . . 0 "[ . 1 . 2 . 3]"
43 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 LEU N -75.00 1.00 -61.95 -61.52 -61.90 . . 0 "[ . 1 . 2 . 3]"
44 . 1 48 ALA C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -73.00 -57.00 -62.96 -62.27 -62.74 . . 0 "[ . 1 . 2 . 3]"
45 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 VAL N -57.00 -17.00 -45.34 -50.35 -42.11 . . 0 "[ . 1 . 2 . 3]"
46 . 1 49 LEU C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -86.00 -54.00 -59.81 -61.05 -61.46 . . 0 "[ . 1 . 2 . 3]"
47 . 1 50 VAL N 1 50 VAL CA 1 50 VAL C 1 51 VAL N -55.00 -27.00 -59.69 -60.19 -60.33 6.42 4 13 "[** +. *1* * . * ** -. ** *]"
48 . 1 50 VAL C 1 51 VAL N 1 51 VAL CA 1 51 VAL C -89.00 -41.00 -59.70 -59.97 -60.21 . . 0 "[ . 1 . 2 . 3]"
49 . 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 LYS N -53.00 -21.00 -36.95 -41.83 -34.26 . . 0 "[ . 1 . 2 . 3]"
50 . 1 51 VAL C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -94.00 -50.00 -66.54 -69.28 -64.23 . . 0 "[ . 1 . 2 . 3]"
51 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 VAL N -49.00 -25.00 -55.33 -59.30 -52.68 10.30 4 25 "[***+.***-****** ********.** *]"
52 . 1 52 LYS C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -105.00 -41.00 -63.48 -66.25 -59.65 . . 0 "[ . 1 . 2 . 3]"
53 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 CYS N -72.00 -8.00 -48.48 -52.09 -44.83 . . 0 "[ . 1 . 2 . 3]"
54 . 1 53 VAL C 1 54 CYS N 1 54 CYS CA 1 54 CYS C -81.00 -41.00 -65.63 -67.61 -63.54 . . 0 "[ . 1 . 2 . 3]"
55 . 1 54 CYS N 1 54 CYS CA 1 54 CYS C 1 55 ALA N -56.00 -24.00 -61.13 -60.88 -60.94 7.10 11 20 "[* **.- ***+**** * ** *** * *]"
56 . 1 54 CYS C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -90.00 -42.00 -61.65 -68.20 -51.71 . . 0 "[ . 1 . 2 . 3]"
57 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 GLY N -54.00 -22.00 -51.81 -54.44 -55.59 3.09 1 0 "[ . 1 . 2 . 3]"
58 . 1 55 ALA C 1 56 GLY N 1 56 GLY CA 1 56 GLY C -77.00 -53.00 80.02 58.44 89.92 142.92 1 30 [+*-***************************]
59 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 LEU N -56.00 -20.00 71.14 60.02 77.89 97.89 14 30 [**-**********+****************]
60 . 1 56 GLY C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -105.00 -49.00 85.81 88.96 87.55 149.21 3 30 [**+**********-****************]
61 . 1 57 LEU N 1 57 LEU CA 1 57 LEU C 1 58 PRO N -65.00 -1.00 97.96 93.80 86.99 141.62 3 30 [**+********-******************]
62 . 1 57 LEU C 1 58 PRO N 1 58 PRO CA 1 58 PRO C -79.00 -55.00 -57.26 -74.15 -43.45 11.55 17 6 "[ . * 1* -*. + 2 . * 3]"
63 . 1 58 PRO N 1 58 PRO CA 1 58 PRO C 1 59 GLY N -56.00 -20.00 -22.73 -18.36 -20.34 14.74 6 8 "[ * .+ 1* *. * 2 * . * -3]"
64 . 1 59 GLY C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -129.00 -41.00 -85.63 -98.81 -38.93 2.07 3 0 "[ . 1 . 2 . 3]"
65 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 ILE N -54.00 38.00 -175.45 176.40 172.87 133.73 19 30 [******************+*********-*]
66 . 1 60 VAL C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -95.00 -47.00 97.19 9.46 150.54 154.72 2 30 [*+**************************-*]
67 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 HIS N -62.00 -14.00 98.78 115.49 115.35 141.09 12 30 [***********+****************-*]
68 . 1 61 ILE C 1 62 HIS N 1 62 HIS CA 1 62 HIS C -92.00 -44.00 -139.01 -143.62 -131.75 51.62 2 30 [*+**************************-*]
69 . 1 62 HIS N 1 62 HIS CA 1 62 HIS C 1 63 THR N -54.00 -18.00 131.86 135.29 133.93 154.97 7 30 [******+*********************-*]
70 . 1 62 HIS C 1 63 THR N 1 63 THR CA 1 63 THR C -133.00 -41.00 -106.64 -110.38 -111.47 . . 0 "[ . 1 . 2 . 3]"
71 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 PRO N -57.00 27.00 134.13 109.79 159.30 132.30 27 30 [******************-*******+***]
72 . 1 63 THR C 1 64 PRO N 1 64 PRO CA 1 64 PRO C -138.00 -26.00 -62.40 -54.36 -61.83 . . 0 "[ . 1 . 2 . 3]"
73 . 1 64 PRO N 1 64 PRO CA 1 64 PRO C 1 65 ALA N -49.00 27.00 -47.02 -44.01 -66.65 47.30 18 10 "[* * ** .* +*2* -* 3]"
74 . 1 64 PRO C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -123.00 -43.00 -106.75 -128.82 -62.48 5.82 22 6 "[ -. 1 * * * 2 + . *]"
75 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 ARG N -57.00 23.00 123.20 128.02 125.65 112.99 15 30 [**************+***********-***]
76 . 1 65 ALA C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -80.00 -52.00 -163.47 -167.16 -168.27 97.56 4 30 [***+**********************-***]
77 . 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 ARG N -66.00 -10.00 164.10 135.26 -177.59 151.00 7 30 [***-**+***********************]
78 . 1 66 ARG C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -82.00 -46.00 -61.44 -69.51 -50.50 . . 0 "[ . 1 . 2 . 3]"
79 . 1 67 ARG N 1 67 ARG CA 1 67 ARG C 1 68 GLY N -63.00 -7.00 8.56 22.09 19.11 44.74 3 22 "[**+ ** 1** ***** - *********]"
80 . 1 67 ARG C 1 68 GLY N 1 68 GLY CA 1 68 GLY C -77.00 -65.00 88.60 66.27 125.16 164.91 4 30 [***+*-************************]
81 . 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 PHE N -54.00 -22.00 -25.88 -32.12 -19.62 2.38 9 0 "[ . 1 . 2 . 3]"
82 . 1 68 GLY C 1 69 PHE N 1 69 PHE CA 1 69 PHE C -80.00 -52.00 -162.43 -179.33 -149.70 99.33 17 30 [********-*******+*************]
83 . 1 69 PHE N 1 69 PHE CA 1 69 PHE C 1 70 PHE N -63.00 -7.00 165.93 173.12 172.82 147.86 22 30 [****************-****+********]
84 . 1 69 PHE C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -80.00 -56.00 130.12 104.10 172.21 166.81 15 30 [**************+*********-*****]
85 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 ARG N -56.00 -24.00 88.66 99.57 96.41 144.46 7 30 [******+*********************-*]
86 . 1 70 PHE C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -83.00 -51.00 120.93 76.75 -117.27 163.58 11 30 [**********+*****************-*]
87 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 CYS N -58.00 -22.00 154.76 133.41 -149.49 161.71 23 30 [**********************+*****-*]
88 . 1 71 ARG C 1 72 CYS N 1 72 CYS CA 1 72 CYS C -75.00 -55.00 67.04 -15.32 121.95 163.05 27 30 [**************************+*-*]
89 . 1 72 CYS N 1 72 CYS CA 1 72 CYS C 1 73 ASN N -52.00 -24.00 67.07 -18.03 93.98 117.98 29 30 [****************-***********+*]
90 . 1 72 CYS C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -79.00 -47.00 -135.57 -137.14 -140.71 77.21 30 29 "[**************** ****-*******+]"
91 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 PRO N -63.00 -27.00 145.15 157.66 155.74 160.21 25 30 [*******************-****+*****]
92 . 1 73 ASN C 1 74 PRO N 1 74 PRO CA 1 74 PRO C -75.00 -51.00 -60.63 -67.86 -71.99 5.48 4 2 "[ +. 1 . - 2 . 3]"
93 . 1 74 PRO N 1 74 PRO CA 1 74 PRO C 1 75 GLU N -44.00 -28.00 62.44 47.08 87.16 115.16 27 30 [*****-********************+***]
94 . 1 74 PRO C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -76.00 -60.00 57.78 29.72 71.52 131.52 20 30 [*-*****************+**********]
95 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ARG N -76.00 -12.00 20.36 36.79 29.85 81.80 25 24 "[******* ** ********2*-**+ * *]"
96 . 1 75 GLU C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -85.00 -49.00 -104.60 -156.36 -45.39 71.36 13 17 "[****. * - +******2* ** *]"
97 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 ILE N -61.00 -21.00 151.86 140.08 139.12 159.92 1 30 [+*****-***********************]
98 . 1 76 ARG C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -82.00 -54.00 -69.09 -37.66 -49.46 17.15 29 2 "[ - . 1 . 2 . +3]"
99 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 GLN N -59.00 -27.00 142.79 125.56 169.45 164.00 22 30 [***-*****************+********]
100 . 1 77 ILE C 1 78 GLN N 1 78 GLN CA 1 78 GLN C -85.00 -49.00 -78.68 -135.73 -57.17 50.73 27 7 "[ - *. * 1 * * 2 . + *]"
101 . 1 78 GLN N 1 78 GLN CA 1 78 GLN C 1 79 ILE N -53.00 -21.00 90.91 77.29 134.60 155.60 27 30 [*-************************+***]
102 . 1 78 GLN C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -85.00 -53.00 -147.78 -146.05 -146.70 70.12 11 30 [**********+***************-***]
103 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 GLY N -61.00 -1.00 156.92 150.33 165.01 148.67 2 30 [*+********-*******************]
104 . 1 79 ILE C 1 80 GLY N 1 80 GLY CA 1 80 GLY C -91.00 -43.00 108.11 100.63 114.23 155.56 20 30 [***-***************+**********]
105 . 1 80 GLY N 1 80 GLY CA 1 80 GLY C 1 81 ASP N -67.00 -7.00 -4.48 -0.24 -2.13 11.62 4 10 "[ **+.-* * * * *2 . * 3]"
106 . 1 83 ARG C 1 84 TYR N 1 84 TYR CA 1 84 TYR C -81.00 -61.00 -86.65 -80.50 -85.98 12.81 1 20 "[+ * *1** *.*-********* ***]"
107 . 1 84 TYR N 1 84 TYR CA 1 84 TYR C 1 85 GLU N -64.00 20.00 -13.70 -14.34 -15.25 . . 0 "[ . 1 . 2 . 3]"
108 . 1 84 TYR C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -102.00 -42.00 -76.28 -71.80 -75.32 . . 0 "[ . 1 . 2 . 3]"
109 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 VAL N -70.00 -6.00 -14.60 -17.92 -12.77 . . 0 "[ . 1 . 2 . 3]"
110 . 1 85 GLU C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -64.00 -48.00 -46.66 -47.39 -47.80 5.99 13 1 "[ . 1 + . 2 . 3]"
111 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ALA N -52.00 -20.00 -53.79 -53.07 -54.25 6.94 24 3 "[ . 1 . - 2 +. * 3]"
112 . 1 86 VAL C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -84.00 -60.00 -66.44 -71.25 -60.90 . . 0 "[ . 1 . 2 . 3]"
113 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 HIS N -61.00 -13.00 -51.01 -48.39 -48.86 0.50 28 0 "[ . 1 . 2 . 3]"
114 . 1 87 ALA C 1 88 HIS N 1 88 HIS CA 1 88 HIS C -86.00 -50.00 -52.23 -57.96 -44.98 5.02 25 1 "[ . 1 . 2 + 3]"
115 . 1 88 HIS N 1 88 HIS CA 1 88 HIS C 1 89 ASP N -59.00 -23.00 -58.44 -61.65 -54.61 2.65 7 0 "[ . 1 . 2 . 3]"
116 . 1 88 HIS C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -73.00 -53.00 -69.99 -67.83 -69.42 4.63 24 0 "[ . 1 . 2 . 3]"
117 . 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 GLY N -60.00 -12.00 -50.56 -55.63 -45.50 . . 0 "[ . 1 . 2 . 3]"
118 . 1 89 ASP C 1 90 GLY N 1 90 GLY CA 1 90 GLY C -76.00 -56.00 -68.01 -67.49 -68.23 1.49 28 0 "[ . 1 . 2 . 3]"
119 . 1 90 GLY N 1 90 GLY CA 1 90 GLY C 1 91 ARG N -48.00 -28.00 28.60 28.76 28.25 61.30 11 30 [**********+****-**************]
120 . 1 90 GLY C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -75.00 -55.00 -77.31 -79.58 -80.25 20.76 28 7 "[* *. - 1 * .* * 2 . + 3]"
121 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 LEU N -54.00 -26.00 0.80 -13.82 8.41 34.41 21 30 [************-*******+*********]
122 . 1 91 ARG C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -100.00 -44.00 -36.70 -40.24 -42.25 13.52 14 24 "[ **-**** *** +* * ********* **]"
123 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 LEU N -64.00 -28.00 -29.80 -30.35 -31.10 3.54 20 0 "[ . 1 . 2 . 3]"
124 . 1 93 LEU C 1 94 ALA N 1 94 ALA CA 1 94 ALA C -108.00 -40.00 -76.43 -80.66 -51.61 . . 0 "[ . 1 . 2 . 3]"
125 . 1 94 ALA N 1 94 ALA CA 1 94 ALA C 1 95 ALA N -61.00 -5.00 -75.15 -75.76 -76.68 23.36 1 30 [+*************************-***]
126 . 1 94 ALA C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -78.00 -54.00 -49.87 -52.14 -56.37 13.34 25 16 "[ * * * *** *. * -** +** **]"
127 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 HIS N -55.00 -27.00 7.02 0.39 18.21 45.21 28 30 [*-*************************+**]
128 . 1 97 MET C 1 98 VAL N 1 98 VAL CA 1 98 VAL C 82.00 102.00 -44.29 -43.79 -43.96 143.53 28 30 [***************-***********+**]
129 . 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 ASN N -21.00 27.00 -45.27 -49.29 -50.37 31.95 18 30 [*****************+******-*****]
130 . 1 98 VAL C 1 99 ASN N 1 99 ASN CA 1 99 ASN C -149.00 -37.00 -37.10 -42.54 -30.71 6.29 16 1 "[ . 1 .+ 2 . 3]"
131 . 1 99 ASN N 1 99 ASN CA 1 99 ASN C 1 100 GLY N 92.00 172.00 -16.55 -21.57 -9.46 113.57 13 30 [************+***********-*****]
132 . 1 99 ASN C 1 100 GLY N 1 100 GLY CA 1 100 GLY C -150.00 -58.00 -46.65 -46.18 -47.72 16.05 25 29 "[*****-** ***************+*****]"
133 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C 1 101 ILE N 93.00 -175.00 -22.20 -25.98 -27.30 121.19 1 30 [+*************************-***]
134 . 1 100 GLY C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -165.00 -45.00 -69.74 -90.13 -45.64 . . 0 "[ . 1 . 2 . 3]"
135 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 VAL N 102.00 154.00 -51.19 -51.45 -51.77 153.77 1 30 [+**************************-**]
136 . 1 101 ILE C 1 102 VAL N 1 102 VAL CA 1 102 VAL C -146.00 -66.00 -41.52 -35.54 -36.04 33.65 24 30 [******-****************+******]
137 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 ILE N 92.00 176.00 -29.44 -39.09 -17.99 131.09 24 30 [**-********************+******]
stop_
save_