NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556148 |
2m38   |
17934 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m38
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 191
_TA_constraint_stats_list.Viol_count 3714
_TA_constraint_stats_list.Viol_total 3760884.25
_TA_constraint_stats_list.Viol_max 139.06
_TA_constraint_stats_list.Viol_rms 20.32
_TA_constraint_stats_list.Viol_average_all_restraints 49.23
_TA_constraint_stats_list.Viol_average_violations_only 50.63
_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 18 SER C 1 19 CYS N 1 19 CYS CA 1 19 CYS C -25.00 155.00 -115.54 -118.53 -124.58 89.29 2 20 [*+****************-*]
2 . 1 19 CYS N 1 19 CYS CA 1 19 CYS C 1 20 ASP N -155.00 65.00 120.21 94.48 158.71 69.27 3 20 [**+********-********]
3 . 1 19 CYS C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -70.00 170.00 -107.16 -110.75 -114.32 54.93 1 20 [+******************-]
4 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 TYR N -145.00 75.00 110.65 95.82 129.85 54.85 11 20 [**********+**-******]
5 . 1 20 ASP C 1 21 TYR N 1 21 TYR CA 1 21 TYR C -50.00 150.00 -126.36 -112.79 -116.18 79.89 18 20 [*****************+*-]
6 . 1 21 TYR N 1 21 TYR CA 1 21 TYR C 1 22 LYS N -140.00 60.00 158.98 172.34 166.51 78.86 14 20 [************-+******]
7 . 1 21 TYR C 1 22 LYS N 1 22 LYS CA 1 22 LYS C 0.00 160.00 -105.90 -134.37 -79.67 99.42 4 20 [***+***************-]
8 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ALA N -155.00 65.00 117.42 110.68 108.52 69.10 15 20 [********-*****+*****]
9 . 1 22 LYS C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -65.00 155.00 -116.77 -145.09 -94.52 66.72 20 20 [********-**********+]
10 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 ALA N -145.00 75.00 172.77 162.83 -177.72 52.17 18 20 [***********-*****+**]
11 . 1 27 GLY C 1 28 SER N 1 28 SER CA 1 28 SER C -70.00 170.00 -117.07 -106.23 -110.08 58.60 3 20 [**+****************-]
12 . 1 28 SER N 1 28 SER CA 1 28 SER C 1 29 MET N -160.00 80.00 107.40 110.61 109.65 42.03 8 20 [*******+***********-]
13 . 1 28 SER C 1 29 MET N 1 29 MET CA 1 29 MET C -35.00 145.00 -104.90 -118.35 -84.86 83.35 4 20 [**-+****************]
14 . 1 29 MET N 1 29 MET CA 1 29 MET C 1 30 LEU N -155.00 65.00 140.89 132.69 127.53 69.33 18 20 [***************-*+**]
15 . 1 29 MET C 1 30 LEU N 1 30 LEU CA 1 30 LEU C -20.00 180.00 -92.23 -108.47 -80.72 76.69 15 20 [********-*****+*****]
16 . 1 30 LEU N 1 30 LEU CA 1 30 LEU C 1 31 ILE N 175.00 75.00 121.27 105.45 130.57 49.38 11 20 [**********+**-******]
17 . 1 30 LEU C 1 31 ILE N 1 31 ILE CA 1 31 ILE C -30.00 170.00 -104.70 -102.09 -104.37 79.37 9 20 [*****-**+***********]
18 . 1 31 ILE N 1 31 ILE CA 1 31 ILE C 1 32 LYS N -175.00 45.00 132.79 114.60 176.67 69.60 2 20 [*+*********-********]
19 . 1 32 LYS C 1 33 GLU N 1 33 GLU CA 1 33 GLU C 30.00 110.00 -116.48 -102.67 -110.94 139.06 7 20 [****-*+*************]
20 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 LEU N -135.00 45.00 113.53 55.60 153.64 89.47 11 20 [**-*******+*********]
21 . 1 33 GLU C 1 34 LEU N 1 34 LEU CA 1 34 LEU C 0.00 160.00 -96.18 -176.56 -69.35 99.38 8 20 [****-**+************]
22 . 1 34 LEU N 1 34 LEU CA 1 34 LEU C 1 35 ARG N -150.00 50.00 119.37 95.12 169.51 78.52 15 20 [***********-**+*****]
23 . 1 34 LEU C 1 35 ARG N 1 35 ARG CA 1 35 ARG C 10.00 170.00 -123.93 -148.74 -94.68 95.32 18 20 [***********-*****+**]
24 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 GLY N -130.00 30.00 73.76 34.13 29.87 90.54 5 16 "[ -**+ * ******** ***]"
25 . 1 36 GLY C 1 37 THR N 1 37 THR CA 1 37 THR C -15.00 -115.00 -82.42 -67.54 -69.69 47.67 6 20 [*****+****-*********]
26 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 GLU N 20.00 -100.00 -2.39 -16.60 9.51 36.60 20 20 [************-******+]
27 . 1 37 THR C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -15.00 -115.00 -63.64 -73.63 -53.24 49.98 3 20 [**+*-***************]
28 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 SER N 20.00 -100.00 -40.56 -39.27 -41.01 59.27 16 20 [**************-+****]
29 . 1 38 GLU C 1 39 SER N 1 39 SER CA 1 39 SER C -15.00 -115.00 -64.68 -74.94 -56.37 49.38 6 20 [*****+*******-******]
30 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 THR N 5.00 -95.00 -42.75 -50.42 -27.76 49.95 19 20 [*************-****+*]
31 . 1 39 SER C 1 40 THR N 1 40 THR CA 1 40 THR C -15.00 -115.00 -66.02 -67.68 -68.52 49.76 7 20 [-*****+*************]
32 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 GLN N 0.00 -80.00 -42.97 -37.24 -38.43 39.84 15 20 [*******-******+*****]
33 . 1 40 THR C 1 41 GLN N 1 41 GLN CA 1 41 GLN C -15.00 -115.00 -66.18 -74.74 -57.74 49.60 1 20 [+****************-**]
34 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 ASP N 20.00 -100.00 -38.19 -49.10 -27.92 59.98 3 20 [**+**************-**]
35 . 1 41 GLN C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -15.00 -115.00 -59.34 -59.97 -61.69 49.29 19 20 [***-**************+*]
36 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 ALA N 20.00 -100.00 -54.62 -62.58 -49.40 50.60 1 20 [+******-************]
37 . 1 42 ASP C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -15.00 -115.00 -61.63 -65.05 -57.42 49.95 9 20 [********+******-****]
38 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 CYS N 0.00 -80.00 -48.05 -57.38 -40.76 39.24 13 20 [******-*****+*******]
39 . 1 43 ALA C 1 44 CYS N 1 44 CYS CA 1 44 CYS C -15.00 -115.00 -56.81 -63.71 -51.07 48.71 19 20 [***********-******+*]
40 . 1 44 CYS N 1 44 CYS CA 1 44 CYS C 1 45 ALA N 5.00 -95.00 -54.73 -48.55 -50.72 49.18 10 20 [**-******+**********]
41 . 1 44 CYS C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -20.00 -100.00 -59.07 -64.09 -54.98 39.97 2 20 [*+**-***************]
42 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 LYS N 5.00 -95.00 -43.26 -44.77 -47.52 49.77 2 20 [*+***-**************]
43 . 1 45 ALA C 1 46 LYS N 1 46 LYS CA 1 46 LYS C -20.00 -100.00 -59.48 -57.66 -58.17 39.52 1 20 [+********-**********]
44 . 1 46 LYS N 1 46 LYS CA 1 46 LYS C 1 47 MET N 5.00 -95.00 -53.52 -65.20 -38.52 47.47 11 20 [*****-****+*********]
45 . 1 46 LYS C 1 47 MET N 1 47 MET CA 1 47 MET C -15.00 -115.00 -70.96 -79.53 -64.67 49.94 5 20 [*-**+***************]
46 . 1 47 MET N 1 47 MET CA 1 47 MET C 1 48 ARG N 5.00 -95.00 -34.80 -39.44 -40.78 49.70 11 20 [**********+-********]
47 . 1 47 MET C 1 48 ARG N 1 48 ARG CA 1 48 ARG C -20.00 -100.00 -62.50 -63.29 -63.41 38.62 13 20 [********-***+*******]
48 . 1 48 ARG N 1 48 ARG CA 1 48 ARG C 1 49 ALA N 5.00 -95.00 -40.24 -34.08 -36.19 49.95 8 20 [******-+************]
49 . 1 48 ARG C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -15.00 -115.00 -75.51 -104.96 -62.09 49.82 19 20 [******-***********+*]
50 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 ASN N 20.00 -100.00 -33.05 -47.85 -11.87 59.97 2 20 [*+***-**************]
51 . 1 49 ALA C 1 50 ASN N 1 50 ASN CA 1 50 ASN C -20.00 -100.00 -76.69 -69.47 -72.26 37.57 15 19 "[*****- *******+*****]"
52 . 1 50 ASN N 1 50 ASN CA 1 50 ASN C 1 51 CYS N 5.00 -95.00 -31.68 -46.73 -0.71 49.86 8 20 [*******+*********-**]
53 . 1 50 ASN C 1 51 CYS N 1 51 CYS CA 1 51 CYS C -15.00 -115.00 -69.49 -74.40 -76.95 49.93 11 20 [****-*****+*********]
54 . 1 51 CYS N 1 51 CYS CA 1 51 CYS C 1 52 GLN N 35.00 -105.00 -27.66 -81.07 20.21 67.64 18 20 [****************-+**]
55 . 1 62 PRO N 1 62 PRO CA 1 62 PRO C 1 63 THR N -145.00 75.00 139.89 142.66 139.89 69.48 16 20 [******-********+****]
56 . 1 62 PRO C 1 63 THR N 1 63 THR CA 1 63 THR C -15.00 165.00 -81.85 -94.59 -69.55 79.59 15 20 [******-*******+*****]
57 . 1 63 THR N 1 63 THR CA 1 63 THR C 1 64 ILE N -165.00 55.00 132.06 135.38 135.22 69.10 13 20 [*******-****+*******]
58 . 1 63 THR C 1 64 ILE N 1 64 ILE CA 1 64 ILE C -70.00 170.00 -123.39 -129.31 -131.63 59.31 16 20 [******-********+****]
59 . 1 64 ILE N 1 64 ILE CA 1 64 ILE C 1 65 ILE N -150.00 90.00 134.34 121.72 147.09 57.09 7 20 [******+*********-***]
60 . 1 64 ILE C 1 65 ILE N 1 65 ILE CA 1 65 ILE C 30.00 110.00 -83.55 -104.77 -70.61 134.77 15 20 [********-*****+*****]
61 . 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 LEU N -130.00 30.00 108.82 99.82 117.56 87.56 12 20 [*****-*****+********]
62 . 1 65 ILE C 1 66 LEU N 1 66 LEU CA 1 66 LEU C -5.00 135.00 -87.71 -88.42 -88.63 92.21 12 20 [***********+****-***]
63 . 1 66 LEU N 1 66 LEU CA 1 66 LEU C 1 67 SER N -140.00 60.00 99.42 91.51 105.92 45.92 15 20 [**************+*-***]
64 . 1 66 LEU C 1 67 SER N 1 67 SER CA 1 67 SER C -60.00 180.00 -102.97 -109.41 -111.51 59.47 5 20 [**-*+***************]
65 . 1 67 SER N 1 67 SER CA 1 67 SER C 1 68 VAL N -170.00 70.00 104.18 89.69 122.56 52.56 5 20 [****+***-***********]
66 . 1 67 SER C 1 68 VAL N 1 68 VAL CA 1 68 VAL C -25.00 155.00 -109.68 -106.87 -108.55 87.65 20 20 [*-*****************+]
67 . 1 68 VAL N 1 68 VAL CA 1 68 VAL C 1 69 SER N -155.00 65.00 126.74 115.27 138.50 69.31 16 20 [************-**+****]
68 . 1 72 GLY C 1 73 VAL N 1 73 VAL CA 1 73 VAL C -45.00 175.00 -124.71 -113.91 -117.78 68.91 17 20 [****************+**-]
69 . 1 73 VAL N 1 73 VAL CA 1 73 VAL C 1 74 LYS N -155.00 65.00 133.12 115.78 146.04 69.21 3 20 [**+***-*************]
70 . 1 73 VAL C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -70.00 170.00 -126.45 -108.54 -118.52 59.48 5 20 [*-**+***************]
71 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 PHE N -145.00 75.00 130.17 98.29 147.27 67.73 8 20 [******-+************]
72 . 1 74 LYS C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -60.00 180.00 -115.80 -129.40 -94.44 59.57 5 20 [***-+***************]
73 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ILE N -155.00 65.00 109.74 98.86 121.65 56.65 8 20 [*******+*******-****]
74 . 1 75 PHE C 1 76 ILE N 1 76 ILE CA 1 76 ILE C -60.00 180.00 -118.92 -117.46 -119.71 59.90 15 20 [*****-********+*****]
75 . 1 76 ILE N 1 76 ILE CA 1 76 ILE C 1 77 ASP N -170.00 70.00 145.50 139.76 138.64 51.36 1 20 [+***************-***]
76 . 1 76 ILE C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -10.00 -130.00 -76.52 -95.63 -64.38 59.92 1 20 [+***********-*******]
77 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ALA N -140.00 60.00 144.73 143.23 141.18 79.01 1 20 [+*****-*************]
78 . 1 77 ASP C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -20.00 -100.00 -92.79 -100.67 -80.28 19.72 5 14 "[* **+****-* * * **]"
79 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 THR N 25.00 -75.00 -17.95 -13.13 -15.71 49.58 15 20 [**************+**-**]
80 . 1 78 ALA C 1 79 THR N 1 79 THR CA 1 79 THR C -10.00 -130.00 -80.43 -79.83 -89.34 59.84 9 20 [********+*-*********]
81 . 1 79 THR N 1 79 THR CA 1 79 THR C 1 80 ASN N 35.00 -105.00 -52.95 -65.03 -34.84 69.84 11 20 [**********+*******-*]
82 . 1 79 THR C 1 80 ASN N 1 80 ASN CA 1 80 ASN C -30.00 -150.00 -115.87 -139.10 -91.30 58.70 17 20 [***************-+***]
83 . 1 80 ASN N 1 80 ASN CA 1 80 ASN C 1 81 LYS N 75.00 -65.00 2.25 -21.13 31.44 69.36 14 20 [*****-*******+******]
84 . 1 80 ASN C 1 81 LYS N 1 81 LYS CA 1 81 LYS C 100.00 20.00 62.46 61.47 53.56 38.53 17 20 [*****-**********+***]
85 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 ASN N 85.00 -15.00 34.43 29.16 27.66 49.28 9 19 "[********+** *******-]"
86 . 1 81 LYS C 1 82 ASN N 1 82 ASN CA 1 82 ASN C -10.00 -130.00 -76.85 -128.79 -55.41 59.96 10 19 "[*****-***+* ********]"
87 . 1 82 ASN N 1 82 ASN CA 1 82 ASN C 1 83 ILE N -160.00 80.00 130.67 132.83 130.44 59.34 2 20 [*+*************-****]
88 . 1 82 ASN C 1 83 ILE N 1 83 ILE CA 1 83 ILE C -10.00 -170.00 -75.48 -75.32 -75.70 71.17 19 20 [*****************-+*]
89 . 1 83 ILE N 1 83 ILE CA 1 83 ILE C 1 84 ILE N -170.00 70.00 103.50 105.33 101.11 58.76 17 20 [-***************+***]
90 . 1 83 ILE C 1 84 ILE N 1 84 ILE CA 1 84 ILE C -45.00 -145.00 -73.08 -90.61 -56.72 45.61 4 20 [-**+****************]
91 . 1 84 ILE N 1 84 ILE CA 1 84 ILE C 1 85 ALA N 15.00 -85.00 -55.37 -57.18 -58.37 41.80 13 20 [************+**-****]
92 . 1 84 ILE C 1 85 ALA N 1 85 ALA CA 1 85 ALA C 80.00 -40.00 -164.59 175.13 -139.73 . . 0 "[ . 1 . 2]"
93 . 1 85 ALA N 1 85 ALA CA 1 85 ALA C 1 86 GLU N -155.00 105.00 145.83 151.79 148.51 49.01 12 20 [***-*******+********]
94 . 1 85 ALA C 1 86 GLU N 1 86 GLU CA 1 86 GLU C -45.00 135.00 -136.71 -154.39 -112.43 89.89 19 20 [*****************-+*]
95 . 1 86 GLU N 1 86 GLU CA 1 86 GLU C 1 87 HIS N -140.00 60.00 122.28 117.73 115.59 79.89 18 20 [******-**********+**]
96 . 1 86 GLU C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -35.00 145.00 -144.24 -116.78 -120.21 85.21 1 20 [+*****-*************]
97 . 1 87 HIS N 1 87 HIS CA 1 87 HIS C 1 88 GLU N -155.00 65.00 161.31 141.53 -171.52 63.47 2 20 [*+************-*****]
98 . 1 87 HIS C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -10.00 -130.00 -73.74 -105.88 -59.87 59.62 5 20 [****+*********-*****]
99 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 ILE N -150.00 50.00 154.05 146.78 145.30 68.91 3 20 [**+*****-***********]
100 . 1 88 GLU C 1 89 ILE N 1 89 ILE CA 1 89 ILE C 5.00 -135.00 -61.12 -54.27 -58.63 69.65 20 20 [*-*****************+]
101 . 1 89 ILE N 1 89 ILE CA 1 89 ILE C 1 90 ARG N 50.00 -110.00 -30.91 -46.08 -14.42 79.80 10 20 [*********+*-********]
102 . 1 89 ILE C 1 90 ARG N 1 90 ARG CA 1 90 ARG C -15.00 -115.00 -67.63 -65.80 -67.99 49.94 9 20 [********+***-*******]
103 . 1 90 ARG N 1 90 ARG CA 1 90 ARG C 1 91 ASN N 25.00 -75.00 -11.96 -25.82 6.68 49.67 15 20 [************-*+*****]
104 . 1 95 ALA C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -35.00 145.00 -132.60 -114.89 -121.00 89.15 15 20 [**********-***+*****]
105 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 GLN N -145.00 75.00 171.77 -176.73 -178.46 67.72 6 20 [*****+****-*********]
106 . 1 96 ALA C 1 97 GLN N 1 97 GLN CA 1 97 GLN C -40.00 160.00 -135.19 -154.71 -85.37 75.46 20 20 [**********-********+]
107 . 1 97 GLN N 1 97 GLN CA 1 97 GLN C 1 98 ASP N -140.00 60.00 166.83 171.64 170.32 76.18 5 20 [****+*****-*********]
108 . 1 97 GLN C 1 98 ASP N 1 98 ASP CA 1 98 ASP C -10.00 -130.00 -73.70 -89.36 -63.52 59.92 1 20 [+**-****************]
109 . 1 98 ASP N 1 98 ASP CA 1 98 ASP C 1 99 PRO N -155.00 65.00 134.59 122.42 150.04 69.84 1 20 [+***-***************]
110 . 1 99 PRO N 1 99 PRO CA 1 99 PRO C 1 100 GLU N 25.00 -75.00 -36.31 -48.13 -27.13 47.87 16 20 [**************-+****]
111 . 1 99 PRO C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -15.00 -155.00 -96.84 -108.11 -113.66 69.13 9 20 [********+******-****]
112 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ASP N 65.00 -75.00 -28.62 -40.38 -6.80 68.20 14 20 [*********-***+******]
113 . 1 101 ASP C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -10.00 -130.00 -80.34 -90.29 -71.10 58.90 10 20 [*********+**-*******]
114 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 SER N 35.00 -105.00 7.82 13.90 12.34 44.86 5 20 [***-+***************]
115 . 1 102 LEU C 1 103 SER N 1 103 SER CA 1 103 SER C -20.00 -140.00 -103.84 -105.64 -106.72 50.56 13 20 [************+-******]
116 . 1 103 SER N 1 103 SER CA 1 103 SER C 1 104 THR N 35.00 -65.00 6.74 -11.93 17.36 46.93 11 20 [**********+******-**]
117 . 1 104 THR C 1 105 PHE N 1 105 PHE CA 1 105 PHE C 0.00 120.00 -131.67 -154.82 -112.18 118.36 1 20 [+******************-]
118 . 1 105 PHE N 1 105 PHE CA 1 105 PHE C 1 106 ALA N 55.00 -125.00 154.11 149.16 147.07 . . 0 "[ . 1 . 2]"
119 . 1 105 PHE C 1 106 ALA N 1 106 ALA CA 1 106 ALA C 25.00 125.00 -143.06 -155.32 -130.73 104.27 5 20 [****+**************-]
120 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 TYR N -140.00 60.00 125.42 111.34 151.23 79.80 5 20 [****+************-**]
121 . 1 106 ALA C 1 107 TYR N 1 107 TYR CA 1 107 TYR C -65.00 155.00 -115.40 -109.30 -112.53 68.90 14 20 [***-*********+******]
122 . 1 107 TYR N 1 107 TYR CA 1 107 TYR C 1 108 ILE N -150.00 90.00 147.17 157.75 151.55 59.44 5 20 [****+********-******]
123 . 1 107 TYR C 1 108 ILE N 1 108 ILE CA 1 108 ILE C -30.00 170.00 -106.24 -123.31 -93.20 79.74 15 20 [*********-****+*****]
124 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C 1 109 THR N -155.00 65.00 125.04 116.61 137.64 68.94 1 20 [+***-***************]
125 . 1 108 ILE C 1 109 THR N 1 109 THR CA 1 109 THR C -55.00 165.00 -115.76 -139.79 -101.47 69.14 9 20 [********+***-*******]
126 . 1 109 THR N 1 109 THR CA 1 109 THR C 1 110 LYS N -145.00 75.00 153.47 174.96 165.59 69.10 9 20 [********+**-********]
127 . 1 109 THR C 1 110 LYS N 1 110 LYS CA 1 110 LYS C -15.00 165.00 -111.75 -153.64 -85.86 89.33 11 20 [**********+-********]
128 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C 1 111 ASP N -165.00 55.00 103.16 103.87 99.34 69.92 7 20 [*****-+*************]
129 . 1 110 LYS C 1 111 ASP N 1 111 ASP CA 1 111 ASP C 15.00 155.00 -94.07 -149.96 -70.70 108.89 12 20 [***********+******-*]
130 . 1 111 ASP N 1 111 ASP CA 1 111 ASP C 1 112 LEU N -155.00 65.00 114.86 170.18 141.21 63.79 14 20 [************-+******]
131 . 1 111 ASP C 1 112 LEU N 1 112 LEU CA 1 112 LEU C -20.00 -100.00 -64.37 -72.21 -57.58 39.77 16 20 [****-**********+****]
132 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 LYS N 25.00 -75.00 -20.81 -30.47 -34.60 48.50 19 20 [****************-*+*]
133 . 1 112 LEU C 1 113 LYS N 1 113 LYS CA 1 113 LYS C -10.00 -130.00 -83.89 -109.86 -64.54 57.74 13 20 [************+*****-*]
134 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C 1 114 SER N 25.00 -75.00 -15.25 2.25 -7.68 49.06 9 20 [********+*********-*]
135 . 1 113 LYS C 1 114 SER N 1 114 SER CA 1 114 SER C -40.00 -160.00 -109.00 -103.22 -103.72 59.51 7 20 [******+***********-*]
136 . 1 114 SER N 1 114 SER CA 1 114 SER C 1 115 ASN N 75.00 -65.00 -9.90 54.69 -1.36 63.64 6 18 "[* **.+************-*]"
137 . 1 115 ASN C 1 116 HIS N 1 116 HIS CA 1 116 HIS C 0.00 160.00 -112.29 -98.09 -129.42 98.09 2 20 [*+*************-****]
138 . 1 116 HIS N 1 116 HIS CA 1 116 HIS C 1 117 HIS N -140.00 60.00 164.22 98.19 -169.48 78.96 17 20 [-***************+***]
139 . 1 116 HIS C 1 117 HIS N 1 117 HIS CA 1 117 HIS C 0.00 120.00 -92.04 -105.08 -112.58 117.84 7 20 [**-***+*************]
140 . 1 117 HIS N 1 117 HIS CA 1 117 HIS C 1 118 TYR N 55.00 -125.00 125.48 140.37 134.67 . . 0 "[ . 1 . 2]"
141 . 1 117 HIS C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -45.00 135.00 -97.59 -115.10 -76.37 70.10 8 20 [*******+********-***]
142 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 CYS N 50.00 -110.00 124.65 108.76 150.53 . . 0 "[ . 1 . 2]"
143 . 1 118 TYR C 1 119 CYS N 1 119 CYS CA 1 119 CYS C -65.00 155.00 -100.36 -120.49 -83.28 55.49 3 20 [-*+*****************]
144 . 1 119 CYS N 1 119 CYS CA 1 119 CYS C 1 120 HIS N -150.00 90.00 108.16 108.13 106.71 31.24 15 19 "[************* +-****]"
145 . 1 119 CYS C 1 120 HIS N 1 120 HIS CA 1 120 HIS C -90.00 150.00 -97.36 -107.33 -89.29 17.33 5 11 "[ *-*+*** 1 * * * *2]"
146 . 1 120 HIS N 1 120 HIS CA 1 120 HIS C 1 121 VAL N -155.00 105.00 108.83 106.54 104.86 14.24 5 6 "[ *+ * 1 - . * *2]"
147 . 1 120 HIS C 1 121 VAL N 1 121 VAL CA 1 121 VAL C -45.00 175.00 -107.69 -110.79 -112.93 69.51 14 20 [*****-*******+******]
148 . 1 121 VAL N 1 121 VAL CA 1 121 VAL C 1 122 PHE N -170.00 70.00 128.27 129.94 128.92 59.97 13 20 [************+-******]
149 . 1 121 VAL C 1 122 PHE N 1 122 PHE CA 1 122 PHE C -40.00 160.00 -130.32 -153.61 -123.80 76.20 4 20 [***+********-*******]
150 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C 1 123 THR N -155.00 65.00 147.47 133.41 168.20 69.93 19 20 [************-*****+*]
151 . 1 122 PHE C 1 123 THR N 1 123 THR CA 1 123 THR C -15.00 165.00 -103.81 -99.09 -100.43 89.86 1 20 [+************-******]
152 . 1 123 THR N 1 123 THR CA 1 123 THR C 1 124 ALA N -155.00 65.00 131.72 110.23 170.61 69.56 20 20 [************-******+]
153 . 1 126 ASP C 1 127 VAL N 1 127 VAL CA 1 127 VAL C -15.00 -115.00 -63.01 -64.08 -64.69 49.84 1 20 [+**********-********]
154 . 1 127 VAL N 1 127 VAL CA 1 127 VAL C 1 128 ASN N 20.00 -100.00 -47.13 -55.18 -37.52 59.80 9 20 [******-*+***********]
155 . 1 127 VAL C 1 128 ASN N 1 128 ASN CA 1 128 ASN C -15.00 -115.00 -62.74 -71.06 -58.50 49.61 17 20 [-***************+***]
156 . 1 128 ASN N 1 128 ASN CA 1 128 ASN C 1 129 LEU N 5.00 -95.00 -37.84 -35.44 -36.85 49.42 18 20 [*****************+-*]
157 . 1 128 ASN C 1 129 LEU N 1 129 LEU CA 1 129 LEU C -15.00 -115.00 -59.75 -67.65 -54.36 48.84 7 20 [******+**********-**]
158 . 1 129 LEU N 1 129 LEU CA 1 129 LEU C 1 130 ALA N 5.00 -95.00 -48.39 -52.08 -53.00 49.70 18 20 [***-*************+**]
159 . 1 129 LEU C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -20.00 -100.00 -61.71 -64.08 -58.83 39.84 7 20 [******+-************]
160 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 ALA N 5.00 -95.00 -45.17 -39.51 -42.04 49.88 19 20 [********-*********+*]
161 . 1 130 ALA C 1 131 ALA N 1 131 ALA CA 1 131 ALA C -20.00 -100.00 -60.81 -59.56 -59.78 39.98 17 20 [*********-******+***]
162 . 1 131 ALA N 1 131 ALA CA 1 131 ALA C 1 132 GLU N 15.00 -85.00 -39.92 -45.75 -31.78 49.50 7 20 [*-****+*************]
163 . 1 131 ALA C 1 132 GLU N 1 132 GLU CA 1 132 GLU C -15.00 -115.00 -63.31 -73.20 -57.34 49.74 9 20 [******-*+***********]
164 . 1 132 GLU N 1 132 GLU CA 1 132 GLU C 1 133 ILE N 20.00 -100.00 -42.79 -39.63 -42.50 59.63 16 20 [******-********+****]
165 . 1 132 GLU C 1 133 ILE N 1 133 ILE CA 1 133 ILE C -15.00 -115.00 -59.97 -57.64 -58.11 49.92 7 20 [******+******-******]
166 . 1 133 ILE N 1 133 ILE CA 1 133 ILE C 1 134 ILE N 5.00 -95.00 -48.44 -46.73 -46.78 49.97 13 20 [************+-******]
167 . 1 133 ILE C 1 134 ILE N 1 134 ILE CA 1 134 ILE C -15.00 -115.00 -59.66 -62.48 -55.73 47.48 15 20 [-*************+*****]
168 . 1 134 ILE N 1 134 ILE CA 1 134 ILE C 1 135 LEU N 30.00 -90.00 -42.98 -45.57 -46.93 55.50 14 20 [-************+******]
169 . 1 134 ILE C 1 135 LEU N 1 135 LEU CA 1 135 LEU C -15.00 -115.00 -61.24 -63.78 -64.70 49.75 19 20 [**************-***+*]
170 . 1 135 LEU N 1 135 LEU CA 1 135 LEU C 1 136 THR N 35.00 -105.00 -47.87 -43.43 -43.76 61.57 2 20 [*+***********-******]
171 . 1 135 LEU C 1 136 THR N 1 136 THR CA 1 136 THR C -15.00 -115.00 -62.31 -68.77 -57.48 49.67 9 20 [****-***+***********]
172 . 1 136 THR N 1 136 THR CA 1 136 THR C 1 137 LEU N 20.00 -100.00 -44.96 -39.48 -40.55 59.48 6 20 [*****+-*************]
173 . 1 136 THR C 1 137 LEU N 1 137 LEU CA 1 137 LEU C -15.00 -115.00 -59.95 -64.11 -54.91 49.11 2 20 [*+*************-****]
174 . 1 137 LEU N 1 137 LEU CA 1 137 LEU C 1 138 GLY N 20.00 -100.00 -47.45 -43.69 -44.77 58.96 15 20 [*************-+*****]
175 . 1 137 LEU C 1 138 GLY N 1 138 GLY CA 1 138 GLY C -15.00 -115.00 -60.11 -58.78 -59.51 49.52 15 20 [*****-********+*****]
176 . 1 138 GLY N 1 138 GLY CA 1 138 GLY C 1 139 GLN N 5.00 -95.00 -46.89 -54.42 -38.43 49.87 3 20 [**+***-*************]
177 . 1 138 GLY C 1 139 GLN N 1 139 GLN CA 1 139 GLN C -15.00 -115.00 -63.29 -59.02 -60.28 49.90 13 20 [************+-******]
178 . 1 139 GLN N 1 139 GLN CA 1 139 GLN C 1 140 ALA N 0.00 -80.00 -41.93 -42.58 -42.85 39.10 17 20 [****************+-**]
179 . 1 139 GLN C 1 140 ALA N 1 140 ALA CA 1 140 ALA C -20.00 -100.00 -63.18 -61.24 -61.43 39.29 16 20 [***************+**-*]
180 . 1 140 ALA N 1 140 ALA CA 1 140 ALA C 1 141 PHE N 5.00 -95.00 -40.21 -43.92 -45.70 49.30 16 20 [********-******+****]
181 . 1 140 ALA C 1 141 PHE N 1 141 PHE CA 1 141 PHE C -15.00 -115.00 -72.04 -61.25 -65.45 49.55 15 20 [*****-********+*****]
182 . 1 141 PHE N 1 141 PHE CA 1 141 PHE C 1 142 GLU N 5.00 -95.00 -37.20 -50.25 -19.01 49.67 9 20 [*****-**+***********]
183 . 1 141 PHE C 1 142 GLU N 1 142 GLU CA 1 142 GLU C -15.00 -115.00 -67.52 -76.60 -58.37 49.96 13 20 [************+******-]
184 . 1 142 GLU N 1 142 GLU CA 1 142 GLU C 1 143 VAL N 5.00 -95.00 -44.89 -45.34 -46.65 49.66 16 20 [*******-*******+****]
185 . 1 142 GLU C 1 143 VAL N 1 143 VAL CA 1 143 VAL C -15.00 -115.00 -67.97 -64.07 -64.99 49.99 17 20 [***********-****+***]
186 . 1 143 VAL N 1 143 VAL CA 1 143 VAL C 1 144 ALA N 0.00 -80.00 -20.57 -32.81 -4.74 32.81 2 19 "[*+****** *-*********]"
187 . 1 143 VAL C 1 144 ALA N 1 144 ALA CA 1 144 ALA C -15.00 -115.00 -77.78 -80.23 -82.18 48.84 11 20 [*******-**+*********]
188 . 1 144 ALA N 1 144 ALA CA 1 144 ALA C 1 145 TYR N 20.00 -100.00 -18.54 -40.12 -6.71 59.88 3 20 [**+*******-*********]
189 . 1 144 ALA C 1 145 TYR N 1 145 TYR CA 1 145 TYR C -15.00 -115.00 -89.55 -115.27 -61.97 49.17 1 18 "[+******* **** ****-*]"
190 . 1 145 TYR N 1 145 TYR CA 1 145 TYR C 1 146 GLN N 5.00 -95.00 -27.49 -36.94 -44.69 49.69 18 19 "[****-****** *****+**]"
191 . 1 145 TYR C 1 146 GLN N 1 146 GLN CA 1 146 GLN C -15.00 -115.00 -83.77 -69.59 -72.43 49.60 4 18 "[***+**** **- *******]"
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