NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484536 |
2ifs   |
15020 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2ifs
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 169
_TA_constraint_stats_list.Viol_count 2220
_TA_constraint_stats_list.Viol_total 2586147.50
_TA_constraint_stats_list.Viol_max 170.67
_TA_constraint_stats_list.Viol_rms 54.40
_TA_constraint_stats_list.Viol_average_all_restraints 38.26
_TA_constraint_stats_list.Viol_average_violations_only 58.25
_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 PHI 1 5 ARG C 1 6 PHE N 1 6 PHE CA 1 6 PHE C -132.00 -70.00 -101.55 -121.53 -129.31 2.17 6 0 "[ . 1 . 2]"
2 PSI 1 6 PHE N 1 6 PHE CA 1 6 PHE C 1 7 TYR N 110.00 156.00 130.38 141.92 135.03 2.44 13 0 "[ . 1 . 2]"
3 PHI 1 6 PHE C 1 7 TYR N 1 7 TYR CA 1 7 TYR C -130.00 -76.00 -122.43 -131.98 -87.83 1.98 13 0 "[ . 1 . 2]"
4 PSI 1 7 TYR N 1 7 TYR CA 1 7 TYR C 1 8 PHE N 121.00 155.00 133.14 118.66 156.00 2.34 8 0 "[ . 1 . 2]"
5 PHI 1 8 PHE C 1 9 HIS N 1 9 HIS CA 1 9 HIS C -89.00 -59.00 -87.92 -92.50 -69.30 3.50 5 0 "[ . 1 . 2]"
6 PHI 1 10 PRO C 1 11 ILE N 1 11 ILE CA 1 11 ILE C -67.00 -47.00 -63.14 -67.86 -54.38 0.86 13 0 "[ . 1 . 2]"
7 PSI 1 11 ILE N 1 11 ILE CA 1 11 ILE C 1 12 SER N -54.00 -26.00 -26.99 -27.58 -28.66 1.23 15 0 "[ . 1 . 2]"
8 PSI 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 ASP N -37.00 -11.00 -25.94 -23.25 -23.91 . . 0 "[ . 1 . 2]"
9 PHI 1 12 SER C 1 13 ASP N 1 13 ASP CA 1 13 ASP C -112.00 -72.00 -87.17 -89.84 -91.60 . . 0 "[ . 1 . 2]"
10 PSI 1 13 ASP N 1 13 ASP CA 1 13 ASP C 1 14 LEU N -34.00 0.00 -19.53 -31.40 -0.55 . . 0 "[ . 1 . 2]"
11 PHI 1 13 ASP C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -105.00 -65.00 -80.14 -75.23 -79.49 0.16 20 0 "[ . 1 . 2]"
12 PSI 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 PRO N 111.00 165.00 141.17 129.07 154.45 . . 0 "[ . 1 . 2]"
13 PSI 1 15 PRO N 1 15 PRO CA 1 15 PRO C 1 16 PRO N 141.00 159.00 140.65 142.66 142.62 2.73 16 0 "[ . 1 . 2]"
14 PSI 1 16 PRO N 1 16 PRO CA 1 16 PRO C 1 17 PRO N 141.00 157.00 151.47 140.43 158.09 1.09 11 0 "[ . 1 . 2]"
15 PSI 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 TYR N 123.00 153.00 130.80 120.69 153.47 2.31 9 0 "[ . 1 . 2]"
16 PHI 1 19 PRO C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -115.00 -75.00 -81.46 -102.03 -73.62 1.38 7 0 "[ . 1 . 2]"
17 PSI 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 VAL N 117.00 147.00 128.63 120.73 116.23 2.56 15 0 "[ . 1 . 2]"
18 PHI 1 20 TYR C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -127.00 -89.00 -100.08 -126.06 -85.52 3.48 15 0 "[ . 1 . 2]"
19 PHI 1 21 VAL C 1 22 GLN N 1 22 GLN CA 1 22 GLN C -134.00 -68.00 -110.14 -135.74 -66.02 1.98 3 0 "[ . 1 . 2]"
20 PSI 1 22 GLN N 1 22 GLN CA 1 22 GLN C 1 23 THR N 121.00 147.00 144.19 117.39 153.48 6.48 4 1 "[ +. 1 . 2]"
21 PHI 1 22 GLN C 1 23 THR N 1 23 THR CA 1 23 THR C -134.00 -76.00 -83.86 -137.84 -70.87 5.13 4 1 "[ +. 1 . 2]"
22 PSI 1 23 THR N 1 23 THR CA 1 23 THR C 1 24 THR N 107.00 171.00 153.01 163.72 150.75 2.00 19 0 "[ . 1 . 2]"
23 PHI 1 23 THR C 1 24 THR N 1 24 THR CA 1 24 THR C -99.00 -57.00 -63.16 -55.24 -55.76 3.99 20 0 "[ . 1 . 2]"
24 PSI 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 LYS N 121.00 141.00 125.53 117.98 142.36 3.02 18 0 "[ . 1 . 2]"
25 PHI 1 24 THR C 1 25 LYS N 1 25 LYS CA 1 25 LYS C -123.00 -81.00 -97.70 -123.94 -79.52 1.48 14 0 "[ . 1 . 2]"
26 PSI 1 25 LYS N 1 25 LYS CA 1 25 LYS C 1 26 SER N 125.00 163.00 149.77 118.13 166.51 6.87 18 1 "[ . 1 . + 2]"
27 PHI 1 25 LYS C 1 26 SER N 1 26 SER CA 1 26 SER C -138.00 -86.00 -109.75 -145.50 -83.66 7.50 18 1 "[ . 1 . + 2]"
28 PSI 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 TYR N 121.00 149.00 137.19 145.68 144.50 2.63 3 0 "[ . 1 . 2]"
29 PHI 1 26 SER C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -104.00 -56.00 -95.41 -104.79 -86.61 0.79 2 0 "[ . 1 . 2]"
30 PSI 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 PRO N 116.00 148.00 125.17 113.97 146.08 2.03 4 0 "[ . 1 . 2]"
31 PSI 1 28 PRO N 1 28 PRO CA 1 28 PRO C 1 29 SER N -40.00 -20.00 -32.04 -40.83 -19.48 0.83 16 0 "[ . 1 . 2]"
32 PHI 1 28 PRO C 1 29 SER N 1 29 SER CA 1 29 SER C -79.00 -53.00 -69.48 -80.62 -56.95 1.62 9 0 "[ . 1 . 2]"
33 PSI 1 29 SER N 1 29 SER CA 1 29 SER C 1 30 LYS N -48.00 -22.00 -43.10 -51.58 -21.47 3.58 19 0 "[ . 1 . 2]"
34 PHI 1 29 SER C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -78.00 -54.00 -73.16 -64.56 -67.84 2.78 6 0 "[ . 1 . 2]"
35 PSI 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 LEU N -48.00 -24.00 -31.39 -49.06 -22.05 1.95 1 0 "[ . 1 . 2]"
36 PSI 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 ALA N -46.00 -24.00 -40.68 -44.20 -45.63 2.53 9 0 "[ . 1 . 2]"
37 PSI 1 68 TYR N 1 68 TYR CA 1 68 TYR C 1 69 ALA N 132.00 152.00 110.42 -64.04 -158.76 162.45 17 17 "[***** -********+* *]"
38 PHI 1 68 TYR C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -141.00 -111.00 -102.13 -83.33 -89.02 129.84 7 20 [-*****+*************]
39 PSI 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 ALA N 119.00 153.00 -171.13 -55.81 -108.10 158.71 4 19 "[***+* ***-**********]"
40 PHI 1 69 ALA C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -120.00 -84.00 -85.67 -165.54 70.01 154.01 20 13 "[ ** .* *****.-***+]"
41 PSI 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 ASP N 109.00 139.00 57.48 66.21 8.93 164.10 4 19 "[** +*************-**]"
42 PHI 1 70 ALA C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -112.00 -62.00 -106.48 -157.92 66.30 128.30 12 10 "[ ** * 1*+ **-** 2]"
43 PSI 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 ARG N 144.00 166.00 115.13 85.40 -57.36 136.64 1 18 "[+********* **-.*****]"
44 PHI 1 71 ASP C 1 72 ARG N 1 72 ARG CA 1 72 ARG C -1.00 180.00 -71.65 -79.42 -87.10 89.12 1 20 [+***********-*******]
45 PHI 1 72 ARG C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -112.00 -76.00 -115.03 63.59 -73.60 147.75 6 11 "[-***.+* 1 * ** * *]"
46 PSI 1 74 CYS N 1 74 CYS CA 1 74 CYS C 1 75 MET N 35.00 55.00 130.13 168.90 157.29 153.28 8 20 [*****-*+************]
47 PHI 1 75 MET C 1 76 TRP N 1 76 TRP CA 1 76 TRP C -132.00 -90.00 -125.56 74.66 -63.21 153.34 8 13 "[ **-* *+ * * *** **]"
48 PSI 1 76 TRP N 1 76 TRP CA 1 76 TRP C 1 77 SER N 121.00 165.00 -22.79 93.38 61.88 155.68 11 19 "[***** ****+****-****]"
49 PHI 1 76 TRP C 1 77 SER N 1 77 SER CA 1 77 SER C -137.00 -87.00 -178.37 103.11 82.54 153.17 1 15 "[+** **** **** .* **-]"
50 PSI 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 LYS N 111.00 141.00 131.51 13.46 -86.70 132.30 16 17 "[***-****** ***+* **]"
51 PHI 1 77 SER C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -81.00 -61.00 -120.42 -163.57 66.39 127.39 1 16 "[+***.**-** ****** *]"
52 PSI 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 LYS N 122.00 146.00 92.27 104.81 98.62 167.83 5 19 [****+**-***********2]
53 PHI 1 78 LYS C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -109.00 -83.00 -107.80 56.91 -72.60 154.76 13 12 "[** *** **1- + * **]"
54 PSI 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 CYS N -46.00 -24.00 114.36 29.22 -175.13 164.69 6 20 [*****+*********-****]
55 PHI 1 79 LYS C 1 80 CYS N 1 80 CYS CA 1 80 CYS C 179.00 -121.00 -110.28 165.84 67.74 111.26 7 15 "[** ***+- ** *** ***]"
56 PSI 1 80 CYS N 1 80 CYS CA 1 80 CYS C 1 81 SER N 153.00 175.00 118.27 82.35 -52.28 132.72 18 19 "[**-********** ***+**]"
57 PHI 1 80 CYS C 1 81 SER N 1 81 SER CA 1 81 SER C -133.00 -97.00 -100.26 -170.67 66.80 160.54 3 18 "[**+*** ***** *****-*]"
58 PSI 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 GLY N 144.00 166.00 107.57 -51.81 -161.91 154.65 13 20 [*********-**+*******]
59 PHI 1 82 GLY C 1 83 VAL N 1 83 VAL CA 1 83 VAL C -129.00 -93.00 -119.68 176.29 64.23 157.23 12 10 "[ ***.- 1*+ *.*** 2]"
60 PSI 1 83 VAL N 1 83 VAL CA 1 83 VAL C 1 84 ALA N 116.00 146.00 129.53 131.44 128.88 125.02 8 15 "[ ****-+**** *** **2]"
61 PHI 1 83 VAL C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -119.00 -91.00 178.71 79.81 -83.05 161.19 3 16 "[**+*.***** *- * ****]"
62 PSI 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 CYS N 117.00 149.00 150.50 -64.62 -143.62 157.02 5 14 "[ ** +****1 ***- ***]"
63 PHI 1 84 ALA C 1 85 CYS N 1 85 CYS CA 1 85 CYS C -137.00 -103.00 -118.77 -113.39 -121.71 158.81 14 10 "[ ** . ** 1 * +**- *]"
64 PSI 1 85 CYS N 1 85 CYS CA 1 85 CYS C 1 86 LEU N 127.00 153.00 -87.94 -51.76 -61.92 164.36 4 18 "[***+**********-** *]"
65 PSI 1 87 VAL N 1 87 VAL CA 1 87 VAL C 1 88 LYS N 120.00 142.00 123.22 111.30 135.32 8.70 15 4 "[ .* 1 * + -2]"
66 PHI 1 87 VAL C 1 88 LYS N 1 88 LYS CA 1 88 LYS C -149.00 -109.00 -101.33 -98.14 -99.99 18.95 10 11 "[****. - *+ ** * *]"
67 PSI 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 ASP N 112.00 142.00 133.22 138.31 135.22 . . 0 "[ . 1 . 2]"
68 PHI 1 88 LYS C 1 89 ASP N 1 89 ASP CA 1 89 ASP C -126.00 -92.00 -81.22 -79.88 -80.12 21.07 9 18 "[****.***+-******** *]"
69 PSI 1 89 ASP N 1 89 ASP CA 1 89 ASP C 1 90 ASN N 98.00 158.00 125.14 115.67 137.27 . . 0 "[ . 1 . 2]"
70 PHI 1 89 ASP C 1 90 ASN N 1 90 ASN CA 1 90 ASN C -69.00 -49.00 -96.60 -94.25 -97.60 42.28 13 20 [***********-+*******]
71 PSI 1 90 ASN N 1 90 ASN CA 1 90 ASN C 1 91 PRO N -49.00 -29.00 -36.50 -31.40 -33.47 9.62 9 1 "[ . +1 . 2]"
72 PSI 1 91 PRO N 1 91 PRO CA 1 91 PRO C 1 92 GLN N -43.00 -27.00 153.48 154.62 153.67 170.67 19 20 [*************-****+*]
73 PHI 1 91 PRO C 1 92 GLN N 1 92 GLN CA 1 92 GLN C -107.00 -79.00 -142.84 -150.60 -124.32 43.60 14 20 [***-*********+******]
74 PSI 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1 93 ARG N -10.00 14.00 142.11 134.27 156.26 142.26 14 20 [*********-***+******]
75 PHI 1 94 SER C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -145.00 -111.00 -144.66 -143.38 -143.81 7.73 20 2 "[ - . 1 . +]"
76 PSI 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 PHE N 136.00 158.00 172.89 169.74 167.80 18.52 3 20 [-*+*****************]
77 PHI 1 95 TYR C 1 96 PHE N 1 96 PHE CA 1 96 PHE C -148.00 -120.00 -124.41 -136.40 -119.33 0.67 14 0 "[ . 1 . 2]"
78 PSI 1 96 PHE N 1 96 PHE CA 1 96 PHE C 1 97 LEU N 137.00 157.00 140.08 134.29 150.73 2.71 15 0 "[ . 1 . 2]"
79 PHI 1 96 PHE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -125.00 -87.00 -103.54 -99.06 -100.32 . . 0 "[ . 1 . 2]"
80 PSI 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 ARG N 125.00 145.00 125.62 118.33 130.51 6.67 13 2 "[ . - 1 + . 2]"
81 PHI 1 97 LEU C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -145.00 -121.00 -115.86 -123.27 -109.61 11.39 13 10 "[* - . * *** +*. **]"
82 PSI 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 ILE N 134.00 158.00 138.47 131.77 148.57 2.23 8 0 "[ . 1 . 2]"
83 PHI 1 98 ARG C 1 99 ILE N 1 99 ILE CA 1 99 ILE C -126.00 -106.00 -114.64 -121.02 -134.53 8.53 1 1 "[+ . 1 . 2]"
84 PSI 1 99 ILE N 1 99 ILE CA 1 99 ILE C 1 100 PHE N 122.00 142.00 141.32 129.69 153.49 11.49 6 6 "[ - .+** 1 * .* 2]"
85 PHI 1 99 ILE C 1 100 PHE N 1 100 PHE CA 1 100 PHE C -138.00 -106.00 -86.46 -87.93 -92.85 23.71 6 20 [*****+**********-***]
86 PSI 1 100 PHE N 1 100 PHE CA 1 100 PHE C 1 101 ASP N 129.00 163.00 126.40 109.39 139.78 19.61 12 8 "[ .* **1*+- * * 2]"
87 PHI 1 100 PHE C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -145.00 -65.00 -81.88 -91.10 -69.14 . . 0 "[ . 1 . 2]"
88 PSI 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ILE N 117.00 147.00 156.02 141.03 169.52 22.52 11 12 "[* **.**- 1+***** 2]"
89 PHI 1 101 ASP C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -86.00 -52.00 -0.80 -37.35 10.34 62.34 11 20 [***-******+*********]
90 PHI 1 102 ILE C 1 103 LYS N 1 103 LYS CA 1 103 LYS C -104.00 -56.00 -115.02 -117.37 -111.34 13.37 10 20 [*********+-*********]
91 PHI 1 103 LYS C 1 104 ASP N 1 104 ASP CA 1 104 ASP C -114.00 -80.00 -152.18 -155.80 -158.34 53.88 14 20 [*********-***+******]
92 PHI 1 104 ASP C 1 105 GLY N 1 105 GLY CA 1 105 GLY C 64.00 96.00 -147.36 -176.19 -123.97 140.03 6 20 [*****+************-*]
93 PSI 1 105 GLY N 1 105 GLY CA 1 105 GLY C 1 106 LYS N -3.00 19.00 132.90 129.25 125.95 134.78 3 20 [**+***********-*****]
94 PHI 1 105 GLY C 1 106 LYS N 1 106 LYS CA 1 106 LYS C -93.00 -63.00 -94.28 -106.75 -88.95 13.75 3 5 "[ -+*. * 1* . 2]"
95 PSI 1 106 LYS N 1 106 LYS CA 1 106 LYS C 1 107 LEU N -43.00 5.00 128.13 125.00 124.19 139.64 13 20 [************+*-*****]
96 PHI 1 108 LEU C 1 109 TRP N 1 109 TRP CA 1 109 TRP C -160.00 -110.00 -101.22 -104.79 -107.59 18.08 19 15 "[ -* ** ***** ****+*]"
97 PSI 1 109 TRP N 1 109 TRP CA 1 109 TRP C 1 110 GLU N 127.00 149.00 -41.46 -47.02 -23.98 167.53 11 20 [**********+*-*******]
98 PHI 1 109 TRP C 1 110 GLU N 1 110 GLU CA 1 110 GLU C -149.00 -111.00 -154.80 -155.50 -157.10 28.52 13 11 "[* .* *1-*+ * ****]"
99 PSI 1 110 GLU N 1 110 GLU CA 1 110 GLU C 1 111 GLN N 137.00 163.00 154.70 150.39 168.00 5.00 5 1 "[ + 1 . 2]"
100 PHI 1 110 GLU C 1 111 GLN N 1 111 GLN CA 1 111 GLN C -156.00 -110.00 -132.09 -135.34 -116.95 . . 0 "[ . 1 . 2]"
101 PSI 1 111 GLN N 1 111 GLN CA 1 111 GLN C 1 112 GLU N 114.00 144.00 144.33 141.32 161.98 17.98 12 2 "[ . 1 + . -]"
102 PHI 1 111 GLN C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -106.00 -52.00 163.07 152.56 175.23 101.44 20 20 [*****-*************+]
103 PSI 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 LEU N 128.00 148.00 -127.53 -152.66 -115.29 96.71 20 20 [*-*****************+]
104 PHI 1 116 ASN C 1 117 PHE N 1 117 PHE CA 1 117 PHE C -99.00 -57.00 -117.31 -115.69 -119.42 32.69 20 20 [*************-*****+]
105 PSI 1 117 PHE N 1 117 PHE CA 1 117 PHE C 1 118 VAL N 114.00 134.00 136.03 124.58 146.50 12.50 3 6 "[* + * *1 - . *2]"
106 PHI 1 117 PHE C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -121.00 -91.00 -108.96 -118.27 -104.05 . . 0 "[ . 1 . 2]"
107 PSI 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 TYR N 114.00 144.00 121.84 109.85 142.62 4.15 3 0 "[ . 1 . 2]"
108 PHI 1 118 VAL C 1 119 TYR N 1 119 TYR CA 1 119 TYR C -122.00 -90.00 -95.44 -122.92 -89.83 0.92 8 0 "[ . 1 . 2]"
109 PSI 1 119 TYR N 1 119 TYR CA 1 119 TYR C 1 120 ASN N 123.00 143.00 111.07 108.76 101.83 26.78 11 12 "[*-* ** 1+* * ****]"
110 PHI 1 119 TYR C 1 120 ASN N 1 120 ASN CA 1 120 ASN C -140.00 -98.00 -64.28 -71.18 -51.06 46.94 19 20 [*************-****+*]
111 PSI 1 120 ASN N 1 120 ASN CA 1 120 ASN C 1 121 SER N 113.00 149.00 -47.33 -51.32 -34.01 161.92 15 20 [-*************+*****]
112 PHI 1 120 ASN C 1 121 SER N 1 121 SER CA 1 121 SER C -127.00 -105.00 -59.64 -70.24 -49.17 55.83 13 20 [************+-******]
113 PSI 1 121 SER N 1 121 SER CA 1 121 SER C 1 122 PRO N 101.00 153.00 -37.89 -39.45 -41.66 144.71 7 20 [******+***********-*]
114 PHI 1 125 TYR C 1 126 PHE N 1 126 PHE CA 1 126 PHE C -147.00 -105.00 -132.63 -148.64 -121.42 1.64 11 0 "[ . 1 . 2]"
115 PSI 1 126 PHE N 1 126 PHE CA 1 126 PHE C 1 127 HIS N 129.00 149.00 139.27 145.32 139.54 8.02 15 1 "[ . 1 + 2]"
116 PHI 1 126 PHE C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -127.00 -107.00 -111.18 -124.52 -96.48 10.52 17 1 "[ . 1 . + 2]"
117 PSI 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 THR N 123.00 149.00 128.05 132.02 129.02 . . 0 "[ . 1 . 2]"
118 PHI 1 127 HIS C 1 128 THR N 1 128 THR CA 1 128 THR C -142.00 -104.00 -127.10 -141.16 -119.91 . . 0 "[ . 1 . 2]"
119 PSI 1 128 THR N 1 128 THR CA 1 128 THR C 1 129 PHE N 132.00 162.00 137.89 140.08 137.85 . . 0 "[ . 1 . 2]"
120 PHI 1 128 THR C 1 129 PHE N 1 129 PHE CA 1 129 PHE C -167.00 -121.00 -117.07 -125.87 -108.49 12.51 13 8 "[* - * 1**+ .* *2]"
121 PSI 1 129 PHE N 1 129 PHE CA 1 129 PHE C 1 130 ALA N 139.00 169.00 125.31 120.99 132.88 18.01 7 20 [**-***+*************]
122 PHI 1 129 PHE C 1 130 ALA N 1 130 ALA CA 1 130 ALA C -102.00 -70.00 -125.27 -138.11 -110.32 36.11 20 20 [****-**************+]
123 PSI 1 130 ALA N 1 130 ALA CA 1 130 ALA C 1 131 GLY N 104.00 154.00 136.42 126.83 154.58 0.58 3 0 "[ . 1 . 2]"
124 PHI 1 134 CYS C 1 135 GLN N 1 135 GLN CA 1 135 GLN C -143.00 -109.00 85.52 91.85 86.85 145.90 15 20 [**************+**-**]
125 PSI 1 135 GLN N 1 135 GLN CA 1 135 GLN C 1 136 VAL N 125.00 155.00 16.53 7.14 20.92 117.86 2 20 [*+*-****************]
126 PHI 1 135 GLN C 1 136 VAL N 1 136 VAL CA 1 136 VAL C -143.00 -109.00 -74.65 -93.31 -62.43 46.57 12 20 [**-********+********]
127 PSI 1 136 VAL N 1 136 VAL CA 1 136 VAL C 1 137 ALA N 125.00 155.00 -21.36 -31.20 -37.04 163.51 5 20 [**-*+***************]
128 PHI 1 136 VAL C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -150.00 -118.00 73.75 63.78 61.48 150.04 8 20 [*******+****-*******]
129 PSI 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 LEU N 136.00 164.00 113.60 103.20 99.48 36.83 1 18 "[+**-*****1** *******]"
130 PHI 1 137 ALA C 1 138 LEU N 1 138 LEU CA 1 138 LEU C -161.00 -117.00 -133.89 -155.44 -106.38 10.62 16 1 "[ . 1 .+ 2]"
131 PSI 1 138 LEU N 1 138 LEU CA 1 138 LEU C 1 139 ASN N 137.00 169.00 8.09 -19.00 25.95 156.00 12 20 [****-******+********]
132 PHI 1 138 LEU C 1 139 ASN N 1 139 ASN CA 1 139 ASN C -142.00 -100.00 -147.32 -160.72 -133.14 18.72 13 9 "[ - .* * *+ .*** *]"
133 PSI 1 139 ASN N 1 139 ASN CA 1 139 ASN C 1 140 PHE N 123.00 159.00 127.36 127.80 127.09 . . 0 "[ . 1 . 2]"
134 PSI 1 140 PHE N 1 140 PHE CA 1 140 PHE C 1 141 ALA N 126.00 162.00 147.27 163.30 157.45 1.30 2 0 "[ . 1 . 2]"
135 PHI 1 142 ASN C 1 143 GLU N 1 143 GLU CA 1 143 GLU C -67.00 -47.00 -85.13 -70.56 -74.18 43.33 10 19 "[* ******-+**********]"
136 PSI 1 143 GLU N 1 143 GLU CA 1 143 GLU C 1 144 GLU N -50.00 -30.00 157.47 115.12 -171.05 169.93 9 20 [*****-**+***********]
137 PHI 1 143 GLU C 1 144 GLU N 1 144 GLU CA 1 144 GLU C -73.00 -53.00 -96.15 -84.40 -89.01 55.72 3 17 "[*-+**** *** *******]"
138 PSI 1 144 GLU N 1 144 GLU CA 1 144 GLU C 1 145 GLU N -52.00 -32.00 158.96 31.02 -176.47 169.63 3 20 [*-+*****************]
139 PHI 1 144 GLU C 1 145 GLU N 1 145 GLU CA 1 145 GLU C -76.00 -56.00 -74.09 57.56 -46.48 113.56 2 8 "[*+ . * * -**. *2]"
140 PSI 1 145 GLU N 1 145 GLU CA 1 145 GLU C 1 146 ALA N -51.00 -31.00 -22.37 -70.29 113.44 144.44 17 14 "[*** *-* * **** +**2]"
141 PHI 1 145 GLU C 1 146 ALA N 1 146 ALA CA 1 146 ALA C -74.00 -54.00 -119.61 -110.25 -122.41 124.35 17 20 [*-**************+***]
142 PSI 1 146 ALA N 1 146 ALA CA 1 146 ALA C 1 147 LYS N -54.00 -34.00 51.20 -25.23 95.99 129.99 5 20 [**-*+***************]
143 PHI 1 146 ALA C 1 147 LYS N 1 147 LYS CA 1 147 LYS C -75.00 -55.00 -90.84 -60.78 -73.87 27.08 17 16 "[* ***********.*+* -]"
144 PSI 1 148 LYS N 1 148 LYS CA 1 148 LYS C 1 149 PHE N -52.00 -32.00 140.56 126.16 146.10 169.83 6 20 [*****+****-*********]
145 PHI 1 148 LYS C 1 149 PHE N 1 149 PHE CA 1 149 PHE C -74.00 -54.00 -88.21 -88.53 -88.98 17.00 20 20 [************-******+]
146 PSI 1 149 PHE N 1 149 PHE CA 1 149 PHE C 1 150 ARG N -54.00 -34.00 134.68 122.66 143.36 169.99 12 20 [***********+*******-]
147 PHI 1 149 PHE C 1 150 ARG N 1 150 ARG CA 1 150 ARG C -72.00 -52.00 -114.97 -134.90 -97.89 62.90 11 20 [**********+***-*****]
148 PSI 1 150 ARG N 1 150 ARG CA 1 150 ARG C 1 151 LYS N -51.00 -31.00 125.23 138.09 129.54 169.97 11 20 [**********+*****-***]
149 PHI 1 150 ARG C 1 151 LYS N 1 151 LYS CA 1 151 LYS C -80.00 -54.00 -128.17 -130.34 -126.40 50.34 4 20 [***+*******-********]
150 PSI 1 151 LYS N 1 151 LYS CA 1 151 LYS C 1 152 ALA N -48.00 -28.00 104.11 106.95 103.75 143.22 17 20 [****************+*-*]
151 PHI 1 151 LYS C 1 152 ALA N 1 152 ALA CA 1 152 ALA C -73.00 -53.00 -73.22 -64.77 -65.22 19.44 12 5 "[ -* * 1 + *. 2]"
152 PSI 1 152 ALA N 1 152 ALA CA 1 152 ALA C 1 153 VAL N -51.00 -31.00 -34.17 -52.79 -16.87 14.13 8 6 "[ -** +** . 2]"
153 PHI 1 152 ALA C 1 153 VAL N 1 153 VAL CA 1 153 VAL C -74.00 -54.00 -135.43 -156.86 82.20 136.20 5 20 [****+**************-]
154 PSI 1 153 VAL N 1 153 VAL CA 1 153 VAL C 1 154 THR N -55.00 -35.00 159.97 145.52 92.11 159.48 5 20 [****+************-**]
155 PHI 1 153 VAL C 1 154 THR N 1 154 THR CA 1 154 THR C -72.00 -52.00 -83.18 -92.88 -170.52 168.65 5 11 "[*** + * 1 **-** * 2]"
156 PSI 1 154 THR N 1 154 THR CA 1 154 THR C 1 155 ASP N -49.00 -29.00 -14.11 -60.41 42.13 71.13 1 10 "[+ *-* * 1 ***.** 2]"
157 PHI 1 154 THR C 1 155 ASP N 1 155 ASP CA 1 155 ASP C -76.00 -56.00 -100.03 -154.22 74.87 130.87 1 17 "[+ *** ***** **-*****]"
158 PSI 1 155 ASP N 1 155 ASP CA 1 155 ASP C 1 156 LEU N -50.00 -30.00 -13.65 -56.25 28.61 58.61 5 13 "[*-**+ * 1****.*** 2]"
159 PHI 1 155 ASP C 1 156 LEU N 1 156 LEU CA 1 156 LEU C -74.00 -54.00 -130.82 -107.75 -119.61 75.43 1 20 [+*******-***********]
160 PSI 1 156 LEU N 1 156 LEU CA 1 156 LEU C 1 157 LEU N -52.00 -32.00 128.51 133.94 131.61 165.94 2 20 [*+****************-*]
161 PHI 1 156 LEU C 1 157 LEU N 1 157 LEU CA 1 157 LEU C -72.00 -52.00 -119.84 -127.73 -113.12 55.73 11 20 [***-******+*********]
162 PSI 1 157 LEU N 1 157 LEU CA 1 157 LEU C 1 158 GLY N -49.00 -29.00 148.75 143.46 151.17 167.54 20 20 [**********-********+]
163 PHI 1 157 LEU C 1 158 GLY N 1 158 GLY CA 1 158 GLY C -76.00 -56.00 -120.09 -135.82 -109.24 59.82 6 20 [*****+*****-********]
164 PSI 1 158 GLY N 1 158 GLY CA 1 158 GLY C 1 159 ARG N -44.00 -24.00 137.03 130.71 145.67 169.67 6 20 [*****+***********-**]
165 PHI 1 158 GLY C 1 159 ARG N 1 159 ARG CA 1 159 ARG C -79.00 -59.00 -135.33 -161.32 -119.75 82.32 6 20 [***-*+**************]
166 PSI 1 159 ARG N 1 159 ARG CA 1 159 ARG C 1 160 ARG N -52.00 -26.00 159.27 158.75 151.17 165.03 15 20 [**************+****-]
167 PHI 1 85 CYS C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -128.00 -88.00 -119.40 55.57 -61.73 153.33 2 13 "[*+* .** *1** *-* **2]"
168 PSI 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 VAL N 108.00 128.00 179.33 94.96 -51.64 162.73 19 18 "[***** ***1*****-**+*]"
169 PHI 1 86 LEU C 1 87 VAL N 1 87 VAL CA 1 87 VAL C -131.00 -109.00 -93.96 -88.36 -88.73 35.43 12 13 "[** *. ***1*+* * -* *]"
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