NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484555 |
2ith   |
6645 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ith
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 184
_TA_constraint_stats_list.Viol_count 1304
_TA_constraint_stats_list.Viol_total 409734.88
_TA_constraint_stats_list.Viol_max 99.98
_TA_constraint_stats_list.Viol_rms 12.29
_TA_constraint_stats_list.Viol_average_all_restraints 5.57
_TA_constraint_stats_list.Viol_average_violations_only 15.71
_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 . 1 101 GLY CA 1 101 GLY C 1 102 GLY N 1 102 GLY CA -5.00 5.00 -87.02 -85.69 -85.91 99.98 8 20 [*******+***-********]
2 . 1 2 GLU C 1 3 LEU N 1 3 LEU CA 1 3 LEU C -137.00 -97.00 -109.20 -108.87 -112.26 3.55 11 0 "[ . 1 . 2]"
3 . 1 3 LEU C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -139.00 -99.00 -131.72 -141.25 -124.64 2.25 7 0 "[ . 1 . 2]"
4 . 1 4 VAL C 1 5 SER N 1 5 SER CA 1 5 SER C -144.00 -104.00 -91.59 -97.16 -83.93 20.07 1 20 [+*****-*************]
5 . 1 5 SER C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -140.00 -100.00 -129.15 -140.07 -114.50 0.07 4 0 "[ . 1 . 2]"
6 . 1 6 VAL C 1 7 ALA N 1 7 ALA CA 1 7 ALA C -159.00 -119.00 -116.28 -111.45 -112.89 13.09 3 9 "[**+ .* 1 * -* **]"
7 . 1 7 ALA C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -134.00 -94.00 -104.64 -109.64 -117.30 6.89 16 2 "[ . - 1 .+ 2]"
8 . 1 8 ALA C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -140.00 -100.00 -149.43 -146.61 -152.62 21.44 20 14 "[* * .* **1-***** **+]"
9 . 1 26 ILE C 1 27 PRO N 1 27 PRO CA 1 27 PRO C -83.00 -43.00 -54.82 -59.03 -51.93 . . 0 "[ . 1 . 2]"
10 . 1 27 PRO C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -83.00 -43.00 -63.78 -73.27 -55.96 . . 0 "[ . 1 . 2]"
11 . 1 28 ALA C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -88.00 -48.00 -65.57 -70.21 -58.64 . . 0 "[ . 1 . 2]"
12 . 1 29 ASP C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -85.00 -45.00 -57.99 -61.37 -62.90 . . 0 "[ . 1 . 2]"
13 . 1 30 LYS C 1 31 LYS N 1 31 LYS CA 1 31 LYS C -85.00 -45.00 -84.97 -94.12 -63.17 9.12 3 5 "[ + .* -1* .* 2]"
14 . 1 31 LYS C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -87.00 -47.00 -66.50 -77.81 -59.46 . . 0 "[ . 1 . 2]"
15 . 1 32 GLN C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -82.00 -42.00 -44.83 -42.10 -42.82 2.24 17 0 "[ . 1 . 2]"
16 . 1 33 TYR C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -86.00 -46.00 -82.92 -90.63 -78.16 4.63 17 0 "[ . 1 . 2]"
17 . 1 34 ARG C 1 35 SER N 1 35 SER CA 1 35 SER C -83.00 -43.00 -87.42 -113.33 -62.00 30.33 12 11 "[ ****-** +* . * *]"
18 . 1 35 SER C 1 36 ARG N 1 36 ARG CA 1 36 ARG C -85.00 -45.00 -89.40 -114.37 -78.03 29.37 17 7 "[ - ** * 1* . +* 2]"
19 . 1 36 ARG C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -118.00 -78.00 -103.29 -96.91 -99.51 . . 0 "[ . 1 . 2]"
20 . 1 39 ASP C 1 40 ASP N 1 40 ASP CA 1 40 ASP C -145.00 -105.00 -85.99 -88.12 -88.99 30.55 15 20 [*******-******+*****]
21 . 1 41 PRO C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -104.00 -64.00 -120.00 -127.09 -110.88 23.09 11 20 [****-*****+*********]
22 . 1 42 VAL C 1 43 VAL N 1 43 VAL CA 1 43 VAL C -138.00 -98.00 -104.63 -104.04 -104.24 . . 0 "[ . 1 . 2]"
23 . 1 43 VAL C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -138.00 -98.00 -140.98 -144.27 -147.36 15.60 8 6 "[* *. + 1 - . * *2]"
24 . 1 44 LEU C 1 45 GLY N 1 45 GLY CA 1 45 GLY C -135.00 -95.00 -100.55 -109.20 -91.20 3.80 5 0 "[ . 1 . 2]"
25 . 1 46 ARG C 1 47 THR N 1 47 THR CA 1 47 THR C -86.00 -46.00 -56.79 -66.96 -31.18 14.82 5 1 "[ + 1 . 2]"
26 . 1 47 THR C 1 48 THR N 1 48 THR CA 1 48 THR C -92.00 -52.00 -54.83 -54.01 -55.72 6.64 13 2 "[ . 1 + . - 2]"
27 . 1 48 THR C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -83.00 -43.00 -76.50 -97.26 -66.72 14.26 20 1 "[ . 1 . +]"
28 . 1 49 PHE C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -81.00 -41.00 -61.80 -72.42 -53.98 . . 0 "[ . 1 . 2]"
29 . 1 50 GLU C 1 51 SER N 1 51 SER CA 1 51 SER C -84.00 -44.00 -65.40 -58.08 -58.76 . . 0 "[ . 1 . 2]"
30 . 1 51 SER C 1 52 MET N 1 52 MET CA 1 52 MET C -90.00 -50.00 -55.63 -60.17 -60.69 9.92 17 2 "[ . 1 - . + 2]"
31 . 1 52 MET C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -89.00 -49.00 -39.61 -52.71 -24.66 24.34 9 16 "[- * .***+**********2]"
32 . 1 53 ARG C 1 54 ASP N 1 54 ASP CA 1 54 ASP C -104.00 -64.00 -89.90 -100.91 -79.73 . . 0 "[ . 1 . 2]"
33 . 1 60 ALA C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -104.00 -64.00 -136.88 -119.83 -127.69 41.71 6 20 [*-***+**************]
34 . 1 61 GLN C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -133.00 -93.00 -108.23 -126.20 -91.63 1.37 15 0 "[ . 1 . 2]"
35 . 1 62 ILE C 1 63 VAL N 1 63 VAL CA 1 63 VAL C -123.00 -83.00 -102.27 -114.26 -92.85 . . 0 "[ . 1 . 2]"
36 . 1 63 VAL C 1 64 MET N 1 64 MET CA 1 64 MET C -123.00 -83.00 -75.62 -86.96 -70.76 12.24 1 17 "[+***-*** ** ***** **]"
37 . 1 73 VAL C 1 74 ASP N 1 74 ASP CA 1 74 ASP C -84.00 -44.00 -58.46 -56.28 -58.61 . . 0 "[ . 1 . 2]"
38 . 1 75 THR C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -126.00 -86.00 -137.05 -136.28 -140.99 32.30 18 14 "[* **** -*1*** ***+ 2]"
39 . 1 76 ALA C 1 77 HIS N 1 77 HIS CA 1 77 HIS C -142.00 -102.00 -153.70 -158.68 -142.57 16.68 15 19 "[******-*******+*** *]"
40 . 1 77 HIS C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -125.00 -85.00 -125.32 -121.72 -124.71 23.59 5 4 "[* + 1 -. *2]"
41 . 1 78 ARG C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -154.00 -114.00 -93.61 -117.61 -80.21 33.79 19 19 "[* *********-******+*]"
42 . 1 81 SER C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -83.00 -43.00 -71.72 -76.75 -66.06 . . 0 "[ . 1 . 2]"
43 . 1 82 VAL C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -82.00 -42.00 -48.44 -52.33 -44.74 . . 0 "[ . 1 . 2]"
44 . 1 83 GLU C 1 84 GLU N 1 84 GLU CA 1 84 GLU C -82.00 -42.00 -67.28 -63.63 -64.55 . . 0 "[ . 1 . 2]"
45 . 1 84 GLU C 1 85 ALA N 1 85 ALA CA 1 85 ALA C -90.00 -50.00 -73.63 -79.61 -66.53 . . 0 "[ . 1 . 2]"
46 . 1 85 ALA C 1 86 VAL N 1 86 VAL CA 1 86 VAL C -87.00 -47.00 -69.37 -71.95 -62.88 . . 0 "[ . 1 . 2]"
47 . 1 86 VAL C 1 87 ASP N 1 87 ASP CA 1 87 ASP C -82.00 -42.00 -55.42 -58.64 -52.91 . . 0 "[ . 1 . 2]"
48 . 1 87 ASP C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -87.00 -47.00 -68.57 -67.31 -67.53 . . 0 "[ . 1 . 2]"
49 . 1 88 ILE C 1 89 ALA N 1 89 ALA CA 1 89 ALA C -83.00 -43.00 -58.96 -60.57 -56.57 . . 0 "[ . 1 . 2]"
50 . 1 89 ALA C 1 90 ALA N 1 90 ALA CA 1 90 ALA C -85.00 -45.00 -66.20 -69.13 -63.81 . . 0 "[ . 1 . 2]"
51 . 1 90 ALA C 1 91 SER N 1 91 SER CA 1 91 SER C -87.00 -47.00 -72.28 -65.04 -66.20 . . 0 "[ . 1 . 2]"
52 . 1 95 GLU C 1 96 THR N 1 96 THR CA 1 96 THR C -139.00 -99.00 -81.38 -99.57 -103.18 38.96 10 16 "[ *-. ***+**********]"
53 . 1 96 THR C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -155.00 -115.00 -140.31 -151.89 -123.49 . . 0 "[ . 1 . 2]"
54 . 1 97 ALA C 1 98 TYR N 1 98 TYR CA 1 98 TYR C -133.00 -93.00 -128.88 -133.04 -125.63 0.04 4 0 "[ . 1 . 2]"
55 . 1 98 TYR C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -127.00 -87.00 -148.22 -152.41 -140.49 25.41 8 20 [******-+************]
56 . 1 99 VAL C 1 100 ILE N 1 100 ILE CA 1 100 ILE C -114.00 -74.00 -65.47 -83.22 -56.11 17.89 13 16 "[*-**.* * ***+**** **]"
57 . 1 100 ILE C 1 101 GLY N 1 101 GLY CA 1 101 GLY C 80.00 120.00 74.30 76.72 75.38 22.41 14 10 "[* * . * * * +- ***2]"
58 . 1 101 GLY C 1 102 GLY N 1 102 GLY CA 1 102 GLY C -84.00 -44.00 -155.93 -162.45 -148.64 78.45 12 20 [***********+*******-]
59 . 1 102 GLY C 1 103 ALA N 1 103 ALA CA 1 103 ALA C -80.00 -40.00 -38.75 -46.57 -33.41 6.59 11 3 "[ .* - 1+ . 2]"
60 . 1 103 ALA C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -84.00 -44.00 -99.52 -96.94 -99.18 20.34 17 20 [***************-+***]
61 . 1 104 ALA C 1 105 ILE N 1 105 ILE CA 1 105 ILE C -88.00 -48.00 -74.11 -81.58 -66.82 . . 0 "[ . 1 . 2]"
62 . 1 105 ILE C 1 106 TYR N 1 106 TYR CA 1 106 TYR C -81.00 -41.00 -46.09 -45.87 -47.07 . . 0 "[ . 1 . 2]"
63 . 1 106 TYR C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -85.00 -45.00 -60.50 -64.40 -65.61 . . 0 "[ . 1 . 2]"
64 . 1 107 ALA C 1 108 LEU N 1 108 LEU CA 1 108 LEU C -92.00 -52.00 -71.99 -83.46 -89.51 2.85 12 0 "[ . 1 . 2]"
65 . 1 108 LEU C 1 109 PHE N 1 109 PHE CA 1 109 PHE C -86.00 -46.00 -68.78 -71.26 -72.39 . . 0 "[ . 1 . 2]"
66 . 1 109 PHE C 1 110 GLN N 1 110 GLN CA 1 110 GLN C -77.00 -37.00 -30.64 -41.78 -19.61 17.39 14 11 "[** .* *** +-** *]"
67 . 1 110 GLN C 1 111 PRO N 1 111 PRO CA 1 111 PRO C -81.00 -41.00 -67.76 -66.10 -66.97 . . 0 "[ . 1 . 2]"
68 . 1 111 PRO C 1 112 HIS N 1 112 HIS CA 1 112 HIS C -88.00 -48.00 -102.32 -111.47 -89.50 23.47 15 19 "[-******* *****+*****]"
69 . 1 115 ARG C 1 116 MET N 1 116 MET CA 1 116 MET C -118.00 -78.00 -113.71 -123.80 -104.95 5.80 7 2 "[ . + 1 . - 2]"
70 . 1 116 MET C 1 117 VAL N 1 117 VAL CA 1 117 VAL C -122.00 -82.00 -75.97 -93.06 -63.13 18.87 11 10 "[* .* ***+* *.-* 2]"
71 . 1 117 VAL C 1 118 LEU N 1 118 LEU CA 1 118 LEU C -125.00 -85.00 -93.57 -85.93 -99.84 23.54 2 14 "[*+***** 1* * **-**2]"
72 . 1 118 LEU C 1 119 SER N 1 119 SER CA 1 119 SER C -126.00 -86.00 -128.43 -132.44 -133.15 16.54 16 10 "[***-* ** 1 .+* *]"
73 . 1 119 SER C 1 120 ARG N 1 120 ARG CA 1 120 ARG C -130.00 -90.00 -89.81 -107.52 -78.21 11.79 13 6 "[ . * 1**+-. *]"
74 . 1 120 ARG C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -134.00 -94.00 -104.28 -97.97 -100.90 0.66 6 0 "[ . 1 . 2]"
75 . 1 124 GLU C 1 125 TYR N 1 125 TYR CA 1 125 TYR C -148.00 -108.00 -132.76 -154.18 -96.95 11.05 18 2 "[ . 1 .- + 2]"
76 . 1 128 ASP C 1 129 THR N 1 129 THR CA 1 129 THR C -130.00 -90.00 -93.08 -89.56 -93.47 11.67 19 4 "[ ** . 1 -. +2]"
77 . 1 129 THR C 1 130 TYR N 1 130 TYR CA 1 130 TYR C -135.00 -95.00 -117.56 -126.13 -110.30 . . 0 "[ . 1 . 2]"
78 . 1 136 ALA C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -102.00 -62.00 -97.13 -104.75 -89.30 2.75 9 0 "[ . 1 . 2]"
79 . 1 138 GLU C 1 139 TRP N 1 139 TRP CA 1 139 TRP C -150.00 -110.00 -142.19 -142.71 -143.10 4.09 7 0 "[ . 1 . 2]"
80 . 1 139 TRP C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -148.00 -108.00 -97.05 -103.80 -88.46 19.54 5 19 "[****+******** ***-**]"
81 . 1 140 GLU C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -113.00 -73.00 -98.74 -104.81 -85.77 . . 0 "[ . 1 . 2]"
82 . 1 142 ASP C 1 143 ALA N 1 143 ALA CA 1 143 ALA C -166.00 -126.00 -148.98 -155.03 -143.29 . . 0 "[ . 1 . 2]"
83 . 1 143 ALA C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -151.00 -111.00 -115.09 -115.43 -118.32 5.40 7 1 "[ . + 1 . 2]"
84 . 1 144 GLU C 1 145 THR N 1 145 THR CA 1 145 THR C -139.00 -99.00 -140.00 -149.61 -128.57 10.61 4 7 "[***+. 1*- . *]"
85 . 1 145 THR C 1 146 ASP N 1 146 ASP CA 1 146 ASP C -120.00 -80.00 -76.14 -87.91 -61.54 18.46 3 8 "[ + .*** 1-* * * 2]"
86 . 1 149 GLY C 1 150 PHE N 1 150 PHE CA 1 150 PHE C -152.00 -112.00 -163.37 -175.28 -150.58 23.28 18 14 "[ ***.* -1*** ***+**]"
87 . 1 150 PHE C 1 151 THR N 1 151 THR CA 1 151 THR C -133.00 -93.00 -110.81 -114.63 -116.70 1.74 16 0 "[ . 1 . 2]"
88 . 1 151 THR C 1 152 LEU N 1 152 LEU CA 1 152 LEU C -130.00 -90.00 -66.38 -72.95 -58.53 31.47 7 20 [******+*******-*****]
89 . 1 152 LEU C 1 153 GLN N 1 153 GLN CA 1 153 GLN C -143.00 -103.00 -130.35 -138.00 -145.54 7.62 8 3 "[ . + 1 .* - 2]"
90 . 1 153 GLN C 1 154 GLU N 1 154 GLU CA 1 154 GLU C -135.00 -95.00 -113.49 -102.03 -107.68 1.91 15 0 "[ . 1 . 2]"
91 . 1 154 GLU C 1 155 TRP N 1 155 TRP CA 1 155 TRP C -138.00 -98.00 -112.92 -123.00 -100.24 . . 0 "[ . 1 . 2]"
92 . 1 155 TRP C 1 156 VAL N 1 156 VAL CA 1 156 VAL C -151.00 -111.00 -90.67 -97.76 -102.81 31.76 14 19 "[-************+**** *]"
93 . 1 156 VAL C 1 157 ARG N 1 157 ARG CA 1 157 ARG C -144.00 -104.00 -55.41 -50.95 -52.38 55.66 14 20 [*****-*******+******]
94 . 1 3 LEU N 1 3 LEU CA 1 3 LEU C 1 4 VAL N 94.00 154.00 149.51 143.16 154.94 0.94 20 0 "[ . 1 . 2]"
95 . 1 4 VAL N 1 4 VAL CA 1 4 VAL C 1 5 SER N 111.00 151.00 124.84 125.76 125.24 . . 0 "[ . 1 . 2]"
96 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 VAL N 122.00 162.00 131.70 137.30 136.88 . . 0 "[ . 1 . 2]"
97 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 ALA N 120.00 160.00 84.33 76.85 96.15 43.15 20 20 [******-************+]
98 . 1 7 ALA N 1 7 ALA CA 1 7 ALA C 1 8 ALA N 129.00 169.00 142.89 136.61 156.21 . . 0 "[ . 1 . 2]"
99 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 LEU N 119.00 159.00 126.38 113.09 137.35 5.91 17 1 "[ . 1 . + 2]"
100 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 ALA N 118.00 158.00 152.91 140.89 158.67 0.67 1 0 "[ . 1 . 2]"
101 . 1 27 PRO N 1 27 PRO CA 1 27 PRO C 1 28 ALA N -50.00 -10.00 -31.95 -35.94 -38.29 . . 0 "[ . 1 . 2]"
102 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 ASP N -60.00 -20.00 -35.42 -45.22 -28.35 . . 0 "[ . 1 . 2]"
103 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 LYS N -59.00 -19.00 -66.42 -63.45 -64.07 13.52 13 14 "[* * -****1**+*.* * *]"
104 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 LYS N -62.00 -22.00 -16.92 -20.55 -21.08 17.59 3 10 "[ + **- *1* * .* **]"
105 . 1 31 LYS N 1 31 LYS CA 1 31 LYS C 1 32 GLN N -60.00 -20.00 -39.83 -40.95 -42.22 . . 0 "[ . 1 . 2]"
106 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 TYR N -57.00 -17.00 -55.56 -55.28 -55.50 4.88 10 0 "[ . 1 . 2]"
107 . 1 33 TYR N 1 33 TYR CA 1 33 TYR C 1 34 ARG N -64.00 -24.00 -41.48 -52.47 -33.02 . . 0 "[ . 1 . 2]"
108 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 SER N -52.00 -12.00 -23.62 -30.63 -33.34 8.46 12 1 "[ . 1 + . 2]"
109 . 1 35 SER N 1 35 SER CA 1 35 SER C 1 36 ARG N -61.00 -21.00 -8.79 -31.70 15.24 36.24 17 16 "[*-*******1*** .*+ **]"
110 . 1 36 ARG N 1 36 ARG CA 1 36 ARG C 1 37 VAL N -56.00 -16.00 -61.90 -66.58 -68.68 12.95 1 10 "[+** .- *** *.* *]"
111 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ALA N -17.00 23.00 -11.79 -16.75 -6.85 . . 0 "[ . 1 . 2]"
112 . 1 40 ASP N 1 40 ASP CA 1 40 ASP C 1 41 PRO N 116.00 156.00 151.10 150.20 148.21 6.54 12 1 "[ . 1 + . 2]"
113 . 1 42 VAL N 1 42 VAL CA 1 42 VAL C 1 43 VAL N 126.00 166.00 131.98 127.79 135.73 . . 0 "[ . 1 . 2]"
114 . 1 43 VAL N 1 43 VAL CA 1 43 VAL C 1 44 LEU N 106.00 146.00 111.74 105.14 121.24 0.86 12 0 "[ . 1 . 2]"
115 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 GLY N 113.00 173.00 179.26 -179.92 179.33 12.58 16 12 "[ * * ****** *.+ -*2]"
116 . 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 ARG N 128.00 168.00 -173.72 179.02 -162.83 29.17 8 20 [*******+**-*********]
117 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 THR N -59.00 -19.00 -70.74 -77.38 -59.77 18.38 6 19 "[*****+ -************]"
118 . 1 48 THR N 1 48 THR CA 1 48 THR C 1 49 PHE N -60.00 -20.00 -36.08 -35.03 -36.55 2.52 20 0 "[ . 1 . 2]"
119 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 GLU N -64.00 -24.00 -36.95 -41.66 -30.49 . . 0 "[ . 1 . 2]"
120 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 SER N -62.00 -22.00 -21.39 -27.14 -31.54 11.58 17 3 "[ . -1 . + *]"
121 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 MET N -51.00 -11.00 -70.89 -87.44 -47.62 36.44 17 18 "[** **********-**+* *]"
122 . 1 52 MET N 1 52 MET CA 1 52 MET C 1 53 ARG N -58.00 -18.00 -19.15 -29.60 -4.71 13.29 20 6 "[** .** 1 - +]"
123 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ASP N -47.00 -7.00 -27.48 -17.09 -22.07 . . 0 "[ . 1 . 2]"
124 . 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 ASP N -35.00 5.00 -73.31 -85.14 -42.50 50.14 8 20 [**-****+************]
125 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ILE N 104.00 144.00 104.10 127.14 120.23 16.35 15 7 "[* * . * -* + * 2]"
126 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 VAL N 100.00 140.00 127.98 120.49 138.28 . . 0 "[ . 1 . 2]"
127 . 1 63 VAL N 1 63 VAL CA 1 63 VAL C 1 64 MET N 100.00 140.00 117.27 118.51 116.50 . . 0 "[ . 1 . 2]"
128 . 1 64 MET N 1 64 MET CA 1 64 MET C 1 65 SER N 111.00 151.00 90.40 105.38 97.25 30.55 7 19 [*-**.*+*************]
129 . 1 74 ASP N 1 74 ASP CA 1 74 ASP C 1 75 THR N -43.00 -3.00 -45.41 -55.91 -29.44 12.91 8 7 "[ * * + 1 *. -**2]"
130 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 HIS N 102.00 162.00 131.00 129.24 128.14 . . 0 "[ . 1 . 2]"
131 . 1 77 HIS N 1 77 HIS CA 1 77 HIS C 1 78 ARG N 115.00 155.00 165.13 155.26 -174.21 30.79 5 14 "[*** +** 1 **-*****]"
132 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 ALA N 105.00 145.00 124.46 150.00 131.86 5.00 2 1 "[ + . 1 . 2]"
133 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 ALA N 128.00 168.00 140.52 145.43 143.48 . . 0 "[ . 1 . 2]"
134 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 GLU N -57.00 -17.00 -51.00 -49.37 -50.65 . . 0 "[ . 1 . 2]"
135 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 GLU N -59.00 -19.00 -43.74 -49.76 -50.08 . . 0 "[ . 1 . 2]"
136 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 ALA N -65.00 -25.00 -27.60 -27.31 -29.13 5.20 20 1 "[ . 1 . +]"
137 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 VAL N -59.00 -19.00 -37.58 -40.64 -46.19 . . 0 "[ . 1 . 2]"
138 . 1 86 VAL N 1 86 VAL CA 1 86 VAL C 1 87 ASP N -64.00 -24.00 -49.50 -48.01 -49.40 . . 0 "[ . 1 . 2]"
139 . 1 87 ASP N 1 87 ASP CA 1 87 ASP C 1 88 ILE N -58.00 -18.00 -44.29 -48.72 -39.23 . . 0 "[ . 1 . 2]"
140 . 1 88 ILE N 1 88 ILE CA 1 88 ILE C 1 89 ALA N -65.00 -25.00 -37.79 -39.03 -41.91 . . 0 "[ . 1 . 2]"
141 . 1 89 ALA N 1 89 ALA CA 1 89 ALA C 1 90 ALA N -61.00 -21.00 -50.30 -49.37 -50.00 . . 0 "[ . 1 . 2]"
142 . 1 90 ALA N 1 90 ALA CA 1 90 ALA C 1 91 SER N -55.00 -15.00 -24.48 -29.65 -18.12 . . 0 "[ . 1 . 2]"
143 . 1 91 SER N 1 91 SER CA 1 91 SER C 1 92 LEU N -47.00 -7.00 -23.03 -29.03 -31.33 . . 0 "[ . 1 . 2]"
144 . 1 96 THR N 1 96 THR CA 1 96 THR C 1 97 ALA N 116.00 156.00 165.51 179.51 174.85 23.51 2 15 "[ +********- ** ***2]"
145 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 TYR N 128.00 168.00 174.28 171.34 179.19 11.19 7 13 "[****.*+ -* *****2]"
146 . 1 98 TYR N 1 98 TYR CA 1 98 TYR C 1 99 VAL N 117.00 157.00 -179.99 177.03 -175.50 27.50 1 20 [+***************-***]
147 . 1 99 VAL N 1 99 VAL CA 1 99 VAL C 1 100 ILE N 114.00 154.00 115.59 102.41 140.38 11.59 13 5 "[ * . * - + .* 2]"
148 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 GLY N -37.00 3.00 -59.68 -60.97 -62.64 45.58 5 20 [****+****-**********]
149 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 GLY N -176.00 -136.00 -178.19 173.50 -170.82 10.50 19 3 "[ * . 1 - . +2]"
150 . 1 102 GLY N 1 102 GLY CA 1 102 GLY C 1 103 ALA N -173.00 -133.00 129.70 120.90 136.78 66.10 12 20 [***********+-*******]
151 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 ALA N -60.00 -20.00 -51.48 -53.03 -55.59 . . 0 "[ . 1 . 2]"
152 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 ILE N -62.00 -22.00 -25.33 -30.00 -20.25 1.75 19 0 "[ . 1 . 2]"
153 . 1 105 ILE N 1 105 ILE CA 1 105 ILE C 1 106 TYR N -61.00 -21.00 -69.79 -75.27 -64.52 14.27 16 16 "[-* *** ******+****]"
154 . 1 106 TYR N 1 106 TYR CA 1 106 TYR C 1 107 ALA N -59.00 -19.00 -42.38 -38.51 -39.74 . . 0 "[ . 1 . 2]"
155 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 LEU N -62.00 -22.00 -43.60 -54.19 -22.74 . . 0 "[ . 1 . 2]"
156 . 1 108 LEU N 1 108 LEU CA 1 108 LEU C 1 109 PHE N -58.00 -18.00 -42.07 -46.74 -39.59 . . 0 "[ . 1 . 2]"
157 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C 1 110 GLN N -61.00 -21.00 -28.32 -35.39 -13.83 7.17 3 1 "[ + . 1 . 2]"
158 . 1 110 GLN N 1 110 GLN CA 1 110 GLN C 1 111 PRO N -62.00 -22.00 -58.26 -65.30 -53.03 3.30 17 0 "[ . 1 . 2]"
159 . 1 111 PRO N 1 111 PRO CA 1 111 PRO C 1 112 HIS N -51.00 -11.00 -14.62 -17.44 -20.36 9.38 15 1 "[ . 1 + 2]"
160 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C 1 113 LEU N -49.00 -9.00 -5.69 -3.47 -5.11 13.96 12 9 "[ * ** *1-+ *.* * 2]"
161 . 1 116 MET N 1 116 MET CA 1 116 MET C 1 117 VAL N 103.00 143.00 86.92 87.67 85.28 22.66 1 19 "[+*-*** *************]"
162 . 1 117 VAL N 1 117 VAL CA 1 117 VAL C 1 118 LEU N 103.00 143.00 88.20 58.28 126.60 44.72 18 12 "[ **** * 1 *-** +**]"
163 . 1 118 LEU N 1 118 LEU CA 1 118 LEU C 1 119 SER N 112.00 152.00 155.30 143.53 166.02 14.02 16 8 "[** ** - 1 .+* *]"
164 . 1 119 SER N 1 119 SER CA 1 119 SER C 1 120 ARG N 102.00 142.00 112.44 111.72 108.86 8.18 12 3 "[ . - 1*+ . 2]"
165 . 1 120 ARG N 1 120 ARG CA 1 120 ARG C 1 121 VAL N 104.00 144.00 107.43 91.66 116.78 12.34 17 3 "[-* . 1 . + 2]"
166 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 PRO N 108.00 148.00 114.71 119.81 118.24 10.26 7 1 "[ . + 1 . 2]"
167 . 1 125 TYR N 1 125 TYR CA 1 125 TYR C 1 126 GLU N 123.00 163.00 137.84 107.38 165.86 15.62 16 1 "[ . 1 .+ 2]"
168 . 1 129 THR N 1 129 THR CA 1 129 THR C 1 130 TYR N 118.00 158.00 126.17 117.33 136.01 0.67 14 0 "[ . 1 . 2]"
169 . 1 130 TYR N 1 130 TYR CA 1 130 TYR C 1 131 TYR N 112.00 152.00 135.35 130.01 142.20 . . 0 "[ . 1 . 2]"
170 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 GLU N -48.00 -8.00 -17.36 -37.64 -2.84 5.16 6 1 "[ .+ 1 . 2]"
171 . 1 139 TRP N 1 139 TRP CA 1 139 TRP C 1 140 GLU N 130.00 170.00 134.47 126.49 140.02 3.51 5 0 "[ . 1 . 2]"
172 . 1 140 GLU N 1 140 GLU CA 1 140 GLU C 1 141 LEU N 98.00 158.00 -176.57 179.41 177.31 33.87 7 20 [******+********-****]
173 . 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 ASP N 96.00 136.00 112.25 115.44 114.92 . . 0 "[ . 1 . 2]"
174 . 1 143 ALA N 1 143 ALA CA 1 143 ALA C 1 144 GLU N 128.00 168.00 130.68 122.23 142.49 5.77 20 1 "[ . 1 . +]"
175 . 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 THR N 116.00 156.00 119.34 114.44 127.04 1.56 17 0 "[ . 1 . 2]"
176 . 1 145 THR N 1 145 THR CA 1 145 THR C 1 146 ASP N 114.00 154.00 147.86 140.34 156.48 2.48 10 0 "[ . 1 . 2]"
177 . 1 146 ASP N 1 146 ASP CA 1 146 ASP C 1 147 HIS N 108.00 148.00 139.52 144.87 142.34 0.00 17 0 "[ . 1 . 2]"
178 . 1 150 PHE N 1 150 PHE CA 1 150 PHE C 1 151 THR N 140.00 180.00 171.42 156.12 -175.89 4.11 1 0 "[ . 1 . 2]"
179 . 1 151 THR N 1 151 THR CA 1 151 THR C 1 152 LEU N 107.00 147.00 119.46 116.69 115.51 . . 0 "[ . 1 . 2]"
180 . 1 152 LEU N 1 152 LEU CA 1 152 LEU C 1 153 GLN N 105.00 145.00 133.38 122.92 144.99 . . 0 "[ . 1 . 2]"
181 . 1 153 GLN N 1 153 GLN CA 1 153 GLN C 1 154 GLU N 114.00 154.00 126.25 123.52 115.99 11.79 15 1 "[ . 1 + 2]"
182 . 1 154 GLU N 1 154 GLU CA 1 154 GLU C 1 155 TRP N 113.00 153.00 120.62 117.26 116.04 . . 0 "[ . 1 . 2]"
183 . 1 155 TRP N 1 155 TRP CA 1 155 TRP C 1 156 VAL N 118.00 158.00 112.76 99.15 129.76 18.85 13 12 "[ ******-** +*. *]"
184 . 1 156 VAL N 1 156 VAL CA 1 156 VAL C 1 157 ARG N 130.00 170.00 134.53 130.20 138.76 . . 0 "[ . 1 . 2]"
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