NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516272 |
1yji   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1yji
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 160
_TA_constraint_stats_list.Viol_count 298
_TA_constraint_stats_list.Viol_total 37496.34
_TA_constraint_stats_list.Viol_max 121.88
_TA_constraint_stats_list.Viol_rms 10.26
_TA_constraint_stats_list.Viol_average_all_restraints 1.94
_TA_constraint_stats_list.Viol_average_violations_only 11.44
_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 39 CYS N 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 68.80 98.80 79.26 72.29 92.43 . . 0 "[ . 1 ]"
2 . 1 45 CYS N 1 45 CYS CA 1 45 CYS CB 1 45 CYS SG 57.30 87.30 84.53 82.76 87.19 . . 0 "[ . 1 ]"
3 . 1 48 CYS N 1 48 CYS CA 1 48 CYS CB 1 48 CYS SG 45.70 75.70 69.83 55.17 76.34 0.64 1 0 "[ . 1 ]"
4 . 1 86 CYS N 1 86 CYS CA 1 86 CYS CB 1 86 CYS SG 43.80 73.80 64.51 55.73 76.14 2.34 4 0 "[ . 1 ]"
5 . 1 39 CYS CA 1 39 CYS CB 1 39 CYS SG 2 1 FES FE1 -96.50 -66.50 -95.51 -96.80 -97.26 0.76 1 0 "[ . 1 ]"
6 . 1 45 CYS CA 1 45 CYS CB 1 45 CYS SG 2 1 FES FE1 -76.60 -46.60 -71.64 -69.43 -69.81 1.03 4 0 "[ . 1 ]"
7 . 1 48 CYS CA 1 48 CYS CB 1 48 CYS SG 2 1 FES FE2 -142.80 -112.80 -122.24 -130.49 -116.08 . . 0 "[ . 1 ]"
8 . 1 86 CYS CA 1 86 CYS CB 1 86 CYS SG 2 1 FES FE2 -129.90 -99.90 -101.23 -102.27 -102.56 1.46 8 0 "[ . 1 ]"
9 . 1 1 SER C 1 2 LYS N 1 2 LYS CA 1 2 LYS C -98.00 -58.00 -80.57 -97.39 -75.38 . . 0 "[ . 1 ]"
10 . 1 2 LYS C 1 3 VAL N 1 3 VAL CA 1 3 VAL C -140.00 -100.00 -111.88 -111.90 -114.47 . . 0 "[ . 1 ]"
11 . 1 3 VAL C 1 4 VAL N 1 4 VAL CA 1 4 VAL C -140.00 -100.00 -100.17 -99.77 -102.16 1.18 6 0 "[ . 1 ]"
12 . 1 4 VAL C 1 5 TYR N 1 5 TYR CA 1 5 TYR C -108.00 -68.00 -89.23 -73.08 -102.15 0.42 1 0 "[ . 1 ]"
13 . 1 5 TYR C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -140.00 -100.00 -98.58 -99.63 -97.82 2.18 4 0 "[ . 1 ]"
14 . 1 6 VAL C 1 7 SER N 1 7 SER CA 1 7 SER C -108.00 -68.00 -75.71 -72.70 -73.73 . . 0 "[ . 1 ]"
15 . 1 7 SER C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -117.00 -77.00 -89.14 -91.14 -91.54 . . 0 "[ . 1 ]"
16 . 1 8 HIS C 1 9 ASP N 1 9 ASP CA 1 9 ASP C -91.00 -51.00 -67.73 -74.31 -62.41 . . 0 "[ . 1 ]"
17 . 1 9 ASP C 1 10 GLY N 1 10 GLY CA 1 10 GLY C 74.00 114.00 95.31 92.11 99.12 . . 0 "[ . 1 ]"
18 . 1 10 GLY C 1 11 THR N 1 11 THR CA 1 11 THR C -93.00 -53.00 -66.61 -67.87 -72.46 . . 0 "[ . 1 ]"
19 . 1 11 THR C 1 12 ARG N 1 12 ARG CA 1 12 ARG C -119.00 -79.00 -109.28 -112.84 -119.43 0.43 1 0 "[ . 1 ]"
20 . 1 12 ARG C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -140.00 -100.00 -146.60 -151.02 -130.16 11.02 5 8 "[ ** +* *-**]"
21 . 1 13 ARG C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -150.00 -90.00 -99.18 -101.98 -97.82 . . 0 "[ . 1 ]"
22 . 1 14 GLU C 1 15 LEU N 1 15 LEU CA 1 15 LEU C -140.00 -100.00 -116.09 -115.13 -117.47 . . 0 "[ . 1 ]"
23 . 1 15 LEU C 1 16 ASP N 1 16 ASP CA 1 16 ASP C -153.00 -113.00 -136.21 -136.36 -137.06 . . 0 "[ . 1 ]"
24 . 1 16 ASP C 1 17 VAL N 1 17 VAL CA 1 17 VAL C -135.00 -95.00 -106.24 -112.90 -101.40 . . 0 "[ . 1 ]"
25 . 1 17 VAL C 1 18 ALA N 1 18 ALA CA 1 18 ALA C -89.00 -49.00 -72.22 -71.33 -74.67 . . 0 "[ . 1 ]"
26 . 1 18 ALA C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -74.00 -34.00 -66.77 -70.00 -64.63 . . 0 "[ . 1 ]"
27 . 1 19 ASP C 1 20 GLY N 1 20 GLY CA 1 20 GLY C 71.00 111.00 87.59 82.92 92.03 . . 0 "[ . 1 ]"
28 . 1 20 GLY C 1 21 VAL N 1 21 VAL CA 1 21 VAL C -125.00 -85.00 -81.59 -85.36 -77.64 7.36 6 3 "[- .+* 1 ]"
29 . 1 21 VAL C 1 22 SER N 1 22 SER CA 1 22 SER C -95.00 -55.00 -90.68 -87.27 -87.82 . . 0 "[ . 1 ]"
30 . 1 22 SER C 1 23 LEU N 1 23 LEU CA 1 23 LEU C -78.00 -38.00 -47.67 -56.26 -44.48 . . 0 "[ . 1 ]"
31 . 1 25 GLN C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -87.00 -47.00 -57.37 -55.29 -57.29 . . 0 "[ . 1 ]"
32 . 1 26 ALA C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -88.00 -48.00 -61.59 -64.78 -57.14 . . 0 "[ . 1 ]"
33 . 1 27 ALA C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -86.00 -46.00 -86.03 -88.57 -80.78 2.57 3 0 "[ . 1 ]"
34 . 1 28 VAL C 1 29 SER N 1 29 SER CA 1 29 SER C -103.00 -63.00 -77.95 -79.74 -81.25 . . 0 "[ . 1 ]"
35 . 1 29 SER C 1 30 ASN N 1 30 ASN CA 1 30 ASN C -140.00 -100.00 -105.94 -113.14 -94.18 5.82 11 1 "[ . 1+]"
36 . 1 30 ASN C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 75.00 115.00 64.05 64.40 64.10 11.40 1 11 [+****-*****]
37 . 1 31 GLY C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -113.00 -73.00 -120.39 -124.09 -124.40 11.95 11 9 "[** ****- *+]"
38 . 1 32 ILE C 1 33 TYR N 1 33 TYR CA 1 33 TYR C -79.00 -39.00 -82.83 -97.67 -40.41 18.67 7 8 "[-* **+*** ]"
39 . 1 33 TYR C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -90.00 -50.00 -61.98 -106.91 -37.45 16.91 2 9 "[*+ ******-]"
40 . 1 49 HIS C 1 50 VAL N 1 50 VAL CA 1 50 VAL C -180.00 -140.00 -142.47 -147.34 -133.62 6.38 7 2 "[ - . + 1 ]"
41 . 1 50 VAL C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -140.00 -100.00 -113.24 -116.70 -108.52 . . 0 "[ . 1 ]"
42 . 1 51 TYR C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -103.00 -63.00 -87.33 -91.31 -85.58 . . 0 "[ . 1 ]"
43 . 1 52 VAL C 1 53 ASN N 1 53 ASN CA 1 53 ASN C -69.00 -29.00 -47.75 -47.11 -47.58 . . 0 "[ . 1 ]"
44 . 1 53 ASN C 1 54 GLU N 1 54 GLU CA 1 54 GLU C -72.00 -32.00 -56.47 -57.38 -58.19 . . 0 "[ . 1 ]"
45 . 1 54 GLU C 1 55 ALA N 1 55 ALA CA 1 55 ALA C -99.00 -59.00 -100.26 -103.45 -95.96 4.45 2 0 "[ . 1 ]"
46 . 1 55 ALA C 1 56 PHE N 1 56 PHE CA 1 56 PHE C -140.00 -100.00 -113.24 -111.54 -113.00 . . 0 "[ . 1 ]"
47 . 1 56 PHE C 1 57 THR N 1 57 THR CA 1 57 THR C -87.00 -47.00 -70.43 -72.95 -68.08 . . 0 "[ . 1 ]"
48 . 1 57 THR C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -113.00 -73.00 -86.14 -87.84 -88.95 . . 0 "[ . 1 ]"
49 . 1 58 ASP C 1 59 LYS N 1 59 LYS CA 1 59 LYS C -140.00 -100.00 -120.41 -121.68 -124.46 . . 0 "[ . 1 ]"
50 . 1 59 LYS C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -110.00 -70.00 -81.58 -78.86 -81.06 . . 0 "[ . 1 ]"
51 . 1 61 PRO C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -74.00 -34.00 -71.62 -75.00 -75.37 1.66 11 0 "[ . 1 ]"
52 . 1 62 ALA C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -79.00 -39.00 -54.10 -65.25 -47.03 . . 0 "[ . 1 ]"
53 . 1 63 ALA C 1 64 ASN N 1 64 ASN CA 1 64 ASN C -127.00 -87.00 -60.98 -66.37 -53.56 33.44 4 11 [***+*-*****]
54 . 1 64 ASN C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -69.00 -29.00 -69.46 -72.23 -65.31 3.23 11 0 "[ . 1 ]"
55 . 1 65 GLU C 1 66 ARG N 1 66 ARG CA 1 66 ARG C -94.00 -54.00 -66.16 -59.95 -60.91 . . 0 "[ . 1 ]"
56 . 1 67 GLU C 1 68 ILE N 1 68 ILE CA 1 68 ILE C -77.00 -37.00 -50.90 -75.54 -44.21 . . 0 "[ . 1 ]"
57 . 1 68 ILE C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -100.00 -60.00 -75.34 -76.66 -80.00 1.19 11 0 "[ . 1 ]"
58 . 1 69 GLY C 1 70 MET N 1 70 MET CA 1 70 MET C -79.00 -39.00 -68.06 -88.81 -46.38 9.81 5 1 "[ + 1 ]"
59 . 1 71 LEU C 1 72 GLU N 1 72 GLU CA 1 72 GLU C -83.00 -43.00 -82.33 -85.34 -91.08 9.26 1 2 "[+ -. 1 ]"
60 . 1 73 CYS C 1 74 VAL N 1 74 VAL CA 1 74 VAL C -78.00 -38.00 -96.06 -96.35 -97.48 20.87 10 11 [*********+-]
61 . 1 74 VAL C 1 75 THR N 1 75 THR CA 1 75 THR C -120.00 -80.00 -105.54 -120.05 -99.56 0.05 10 0 "[ . 1 ]"
62 . 1 75 THR C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -125.00 -85.00 -106.85 -104.58 -105.78 . . 0 "[ . 1 ]"
63 . 1 77 GLU C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -101.00 -61.00 -71.37 -74.00 -68.60 . . 0 "[ . 1 ]"
64 . 1 78 LEU C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -140.00 -100.00 -115.56 -118.03 -123.27 . . 0 "[ . 1 ]"
65 . 1 80 PRO C 1 81 ASN N 1 81 ASN CA 1 81 ASN C -140.00 -100.00 -119.53 -130.55 -111.77 . . 0 "[ . 1 ]"
66 . 1 81 ASN C 1 82 SER N 1 82 SER CA 1 82 SER C -87.00 -47.00 -57.97 -47.21 -52.07 . . 0 "[ . 1 ]"
67 . 1 82 SER C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -171.00 -131.00 -167.57 -161.58 -164.93 1.32 5 0 "[ . 1 ]"
68 . 1 87 GLN C 1 88 ILE N 1 88 ILE CA 1 88 ILE C -120.00 -80.00 -124.67 -117.61 -130.14 11.77 4 7 "[* +* -*** ]"
69 . 1 88 ILE C 1 89 ILE N 1 89 ILE CA 1 89 ILE C -123.00 -83.00 -130.38 -139.01 -121.60 16.01 8 8 "[ ***-**+*1 ]"
70 . 1 89 ILE C 1 90 MET N 1 90 MET CA 1 90 MET C -81.00 -41.00 -87.26 -87.49 -88.33 10.14 11 9 "[**-**** *1+]"
71 . 1 90 MET C 1 91 THR N 1 91 THR CA 1 91 THR C -114.00 -74.00 -147.23 -151.19 -151.93 41.04 9 11 [********+-*]
72 . 1 92 PRO C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -92.00 -52.00 -66.22 -70.57 -59.37 . . 0 "[ . 1 ]"
73 . 1 93 GLU C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -131.00 -91.00 -98.07 -104.48 -90.85 0.15 1 0 "[ . 1 ]"
74 . 1 94 LEU C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -61.00 -21.00 -62.83 -65.88 -58.90 4.88 5 0 "[ . 1 ]"
75 . 1 95 ASP C 1 96 GLY N 1 96 GLY CA 1 96 GLY C 84.00 124.00 108.24 105.22 111.94 . . 0 "[ . 1 ]"
76 . 1 96 GLY C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -65.00 -25.00 -64.76 -67.07 -61.71 2.07 11 0 "[ . 1 ]"
77 . 1 97 ILE C 1 98 VAL N 1 98 VAL CA 1 98 VAL C -160.00 -40.00 -104.16 -106.99 -101.69 . . 0 "[ . 1 ]"
78 . 1 98 VAL C 1 99 VAL N 1 99 VAL CA 1 99 VAL C -140.00 -100.00 -104.83 -105.88 -108.50 . . 0 "[ . 1 ]"
79 . 1 99 VAL C 1 100 ASP N 1 100 ASP CA 1 100 ASP C -121.00 -81.00 -107.83 -109.68 -104.71 . . 0 "[ . 1 ]"
80 . 1 100 ASP C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -114.00 -74.00 -107.60 -103.73 -107.27 . . 0 "[ . 1 ]"
81 . 1 102 PRO C 1 103 ASP N 1 103 ASP CA 1 103 ASP C -91.00 -51.00 -81.90 -75.61 -79.13 . . 0 "[ . 1 ]"
82 . 1 103 ASP C 1 104 ARG N 1 104 ARG CA 1 104 ARG C -130.00 -10.00 -114.56 -123.82 -103.78 . . 0 "[ . 1 ]"
83 . 1 104 ARG C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -140.00 -100.00 -83.24 -85.05 -87.56 19.45 11 11 [-*********+]
84 . 1 105 GLN C 1 106 TRP N 1 106 TRP CA 1 106 TRP C -113.00 -73.00 45.68 41.33 48.88 121.88 7 11 [***-**+****]
85 . 1 4 VAL HA 1 4 VAL CA 1 4 VAL CB 1 4 VAL HB 120.00 -120.00 -175.98 179.49 -172.61 . . 0 "[ . 1 ]"
86 . 1 5 TYR HA 1 5 TYR CA 1 5 TYR CB 1 5 TYR HB3 -120.00 0.00 -58.97 -57.80 -61.48 . . 0 "[ . 1 ]"
87 . 1 6 VAL HA 1 6 VAL CA 1 6 VAL CB 1 6 VAL HB 120.00 -120.00 175.99 172.48 -179.52 . . 0 "[ . 1 ]"
88 . 1 9 ASP HA 1 9 ASP CA 1 9 ASP CB 1 9 ASP HB3 0.00 120.00 47.09 33.62 54.27 . . 0 "[ . 1 ]"
89 . 1 11 THR HA 1 11 THR CA 1 11 THR CB 1 11 THR HB 0.00 120.00 113.01 115.34 88.45 0.65 6 0 "[ . 1 ]"
90 . 1 28 VAL HA 1 28 VAL CA 1 28 VAL CB 1 28 VAL HB 120.00 -120.00 177.87 176.57 175.49 . . 0 "[ . 1 ]"
91 . 1 30 ASN HA 1 30 ASN CA 1 30 ASN CB 1 30 ASN HB3 -120.00 0.00 -70.70 -76.16 -77.17 . . 0 "[ . 1 ]"
92 . 1 32 ILE HA 1 32 ILE CA 1 32 ILE CB 1 32 ILE HB 120.00 -120.00 174.28 162.89 -173.32 . . 0 "[ . 1 ]"
93 . 1 52 VAL HA 1 52 VAL CA 1 52 VAL CB 1 52 VAL HB 120.00 -120.00 -173.39 176.51 -164.32 . . 0 "[ . 1 ]"
94 . 1 56 PHE HA 1 56 PHE CA 1 56 PHE CB 1 56 PHE HB3 -120.00 0.00 -66.67 -66.34 -67.49 . . 0 "[ . 1 ]"
95 . 1 57 THR HA 1 57 THR CA 1 57 THR CB 1 57 THR HB -120.00 0.00 -73.42 -76.92 -68.92 . . 0 "[ . 1 ]"
96 . 1 64 ASN HA 1 64 ASN CA 1 64 ASN CB 1 64 ASN HB3 0.00 120.00 38.76 32.31 52.02 . . 0 "[ . 1 ]"
97 . 1 68 ILE HA 1 68 ILE CA 1 68 ILE CB 1 68 ILE HB 120.00 -120.00 168.33 159.11 -173.86 . . 0 "[ . 1 ]"
98 . 1 74 VAL HA 1 74 VAL CA 1 74 VAL CB 1 74 VAL HB -120.00 0.00 -75.81 -67.00 -76.93 2.98 10 0 "[ . 1 ]"
99 . 1 88 ILE HA 1 88 ILE CA 1 88 ILE CB 1 88 ILE HB 120.00 -120.00 177.50 170.52 164.30 . . 0 "[ . 1 ]"
100 . 1 89 ILE HA 1 89 ILE CA 1 89 ILE CB 1 89 ILE HB 120.00 -120.00 166.04 174.99 152.82 . . 0 "[ . 1 ]"
101 . 1 91 THR HA 1 91 THR CA 1 91 THR CB 1 91 THR HB -120.00 0.00 -57.51 -73.84 -22.37 . . 0 "[ . 1 ]"
102 . 1 94 LEU HA 1 94 LEU CA 1 94 LEU CB 1 94 LEU HB3 -120.00 0.00 -89.85 -95.81 -96.44 . . 0 "[ . 1 ]"
103 . 1 97 ILE HA 1 97 ILE CA 1 97 ILE CB 1 97 ILE HB 0.00 120.00 50.05 58.11 37.48 . . 0 "[ . 1 ]"
104 . 1 101 VAL HA 1 101 VAL CA 1 101 VAL CB 1 101 VAL HB 120.00 -120.00 -171.53 -174.43 -165.20 . . 0 "[ . 1 ]"
105 . 1 37 GLY C 1 38 ASP N 1 38 ASP CA 1 38 ASP C -107.88 12.12 -79.25 -50.09 -73.74 . . 0 "[ . 1 ]"
106 . 1 38 ASP C 1 39 CYS N 1 39 CYS CA 1 39 CYS C -144.31 -24.31 -68.73 -72.65 -51.65 . . 0 "[ . 1 ]"
107 . 1 39 CYS C 1 40 GLY N 1 40 GLY CA 1 40 GLY C 32.00 152.00 53.06 59.27 56.79 . . 0 "[ . 1 ]"
108 . 1 40 GLY C 1 41 GLY N 1 41 GLY CA 1 41 GLY C 5.93 125.93 92.86 85.96 102.78 . . 0 "[ . 1 ]"
109 . 1 41 GLY C 1 42 SER N 1 42 SER CA 1 42 SER C -178.96 -58.96 -118.13 -160.76 -93.38 . . 0 "[ . 1 ]"
110 . 1 42 SER C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -0.97 119.03 46.14 42.98 42.42 . . 0 "[ . 1 ]"
111 . 1 43 ALA C 1 44 SER N 1 44 SER CA 1 44 SER C 173.60 -66.40 -164.32 -166.26 -166.54 . . 0 "[ . 1 ]"
112 . 1 44 SER C 1 45 CYS N 1 45 CYS CA 1 45 CYS C 146.23 -93.77 -158.89 -163.93 -149.51 . . 0 "[ . 1 ]"
113 . 1 45 CYS C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -179.56 -59.56 -110.06 -99.22 -102.34 . . 0 "[ . 1 ]"
114 . 1 46 ALA C 1 47 THR N 1 47 THR CA 1 47 THR C -133.26 -13.26 -56.87 -51.91 -54.09 . . 0 "[ . 1 ]"
115 . 1 47 THR C 1 48 CYS N 1 48 CYS CA 1 48 CYS C -158.59 -38.59 -88.13 -92.74 -96.42 . . 0 "[ . 1 ]"
116 . 1 48 CYS C 1 49 HIS N 1 49 HIS CA 1 49 HIS C -119.48 0.52 -76.59 -77.99 -75.32 . . 0 "[ . 1 ]"
117 . 1 84 LEU C 1 85 CYS N 1 85 CYS CA 1 85 CYS C -126.62 -6.62 -52.32 -75.20 -31.77 . . 0 "[ . 1 ]"
118 . 1 85 CYS C 1 86 CYS N 1 86 CYS CA 1 86 CYS C -157.77 -37.77 -74.76 -93.93 -58.22 . . 0 "[ . 1 ]"
119 . 1 38 ASP N 1 38 ASP CA 1 38 ASP C 1 39 CYS N -111.74 8.26 -72.40 -60.50 -63.25 . . 0 "[ . 1 ]"
120 . 1 39 CYS N 1 39 CYS CA 1 39 CYS C 1 40 GLY N -54.29 65.71 11.62 16.68 15.84 . . 0 "[ . 1 ]"
121 . 1 40 GLY N 1 40 GLY CA 1 40 GLY C 1 41 GLY N -55.00 65.00 15.89 7.59 65.15 0.15 4 0 "[ . 1 ]"
122 . 1 41 GLY N 1 41 GLY CA 1 41 GLY C 1 42 SER N -11.97 108.03 41.50 23.65 23.14 . . 0 "[ . 1 ]"
123 . 1 42 SER N 1 42 SER CA 1 42 SER C 1 43 ALA N -44.39 75.61 33.08 41.65 40.60 . . 0 "[ . 1 ]"
124 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 SER N -14.32 105.68 71.81 63.45 77.68 . . 0 "[ . 1 ]"
125 . 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 CYS N -43.76 76.24 22.45 21.16 17.42 . . 0 "[ . 1 ]"
126 . 1 45 CYS N 1 45 CYS CA 1 45 CYS C 1 46 ALA N 111.00 -129.00 175.54 159.70 -156.25 . . 0 "[ . 1 ]"
127 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 THR N -47.66 72.34 10.76 3.39 21.38 . . 0 "[ . 1 ]"
128 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 CYS N -75.12 44.88 -45.77 -54.42 -28.50 . . 0 "[ . 1 ]"
129 . 1 48 CYS N 1 48 CYS CA 1 48 CYS C 1 49 HIS N -44.65 75.35 52.72 53.76 48.11 . . 0 "[ . 1 ]"
130 . 1 49 HIS N 1 49 HIS CA 1 49 HIS C 1 50 VAL N 69.93 -170.07 107.16 96.11 113.14 . . 0 "[ . 1 ]"
131 . 1 85 CYS N 1 85 CYS CA 1 85 CYS C 1 86 CYS N -72.32 47.68 -28.07 -35.14 -41.84 . . 0 "[ . 1 ]"
132 . 1 86 CYS N 1 86 CYS CA 1 86 CYS C 1 87 GLN N -68.67 51.33 -31.38 -49.06 5.94 . . 0 "[ . 1 ]"
133 . 1 23 LEU C 1 24 MET N 1 24 MET CA 1 24 MET C -89.00 -49.00 -64.75 -55.57 -61.19 . . 0 "[ . 1 ]"
134 . 1 24 MET C 1 25 GLN N 1 25 GLN CA 1 25 GLN C -79.00 -39.00 -70.45 -78.35 -59.34 . . 0 "[ . 1 ]"
135 . 1 70 MET C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -81.00 -41.00 -61.75 -67.74 -55.20 . . 0 "[ . 1 ]"
136 . 1 72 GLU C 1 73 CYS N 1 73 CYS CA 1 73 CYS C -123.00 -83.00 -126.94 -125.51 -131.26 11.89 1 4 "[+ . ** 1-]"
137 . 1 7 SER HA 1 7 SER CA 1 7 SER CB 1 7 SER HB3 0.00 120.00 61.00 51.23 88.76 . . 0 "[ . 1 ]"
138 . 1 12 ARG HA 1 12 ARG CA 1 12 ARG CB 1 12 ARG HB3 -120.00 0.00 -44.58 -58.17 -25.72 . . 0 "[ . 1 ]"
139 . 1 14 GLU HA 1 14 GLU CA 1 14 GLU CB 1 14 GLU HB3 -120.00 0.00 -36.40 -36.64 -37.63 . . 0 "[ . 1 ]"
140 . 1 15 LEU HA 1 15 LEU CA 1 15 LEU CB 1 15 LEU HB3 -120.00 0.00 -82.21 -121.76 -48.05 1.76 6 0 "[ . 1 ]"
141 . 1 19 ASP HA 1 19 ASP CA 1 19 ASP CB 1 19 ASP HB3 0.00 120.00 47.25 45.31 44.79 . . 0 "[ . 1 ]"
142 . 1 22 SER HA 1 22 SER CA 1 22 SER CB 1 22 SER HB3 0.00 120.00 75.93 117.36 95.84 . . 0 "[ . 1 ]"
143 . 1 23 LEU HA 1 23 LEU CA 1 23 LEU CB 1 23 LEU HB3 -120.00 0.00 -62.78 -89.40 -46.23 . . 0 "[ . 1 ]"
144 . 1 29 SER HA 1 29 SER CA 1 29 SER CB 1 29 SER HB3 0.00 120.00 121.13 121.35 121.33 1.61 4 0 "[ . 1 ]"
145 . 1 34 ASP HA 1 34 ASP CA 1 34 ASP CB 1 34 ASP HB3 0.00 120.00 56.84 47.48 65.89 . . 0 "[ . 1 ]"
146 . 1 51 TYR HA 1 51 TYR CA 1 51 TYR CB 1 51 TYR HB3 -120.00 0.00 -63.16 -63.46 -64.48 . . 0 "[ . 1 ]"
147 . 1 54 GLU HA 1 54 GLU CA 1 54 GLU CB 1 54 GLU HB3 0.00 120.00 57.47 49.85 65.91 . . 0 "[ . 1 ]"
148 . 1 58 ASP HA 1 58 ASP CA 1 58 ASP CB 1 58 ASP HB3 0.00 120.00 64.53 49.60 73.11 . . 0 "[ . 1 ]"
149 . 1 59 LYS HA 1 59 LYS CA 1 59 LYS CB 1 59 LYS HB3 -120.00 0.00 -37.66 -35.00 -36.52 . . 0 "[ . 1 ]"
150 . 1 65 GLU HA 1 65 GLU CA 1 65 GLU CB 1 65 GLU HB3 0.00 120.00 60.64 59.10 58.71 . . 0 "[ . 1 ]"
151 . 1 66 ARG HA 1 66 ARG CA 1 66 ARG CB 1 66 ARG HB3 -120.00 0.00 -78.51 -86.62 -59.16 . . 0 "[ . 1 ]"
152 . 1 73 CYS HA 1 73 CYS CA 1 73 CYS CB 1 73 CYS HB3 -120.00 0.00 -121.04 -121.41 -120.76 1.41 2 0 "[ . 1 ]"
153 . 1 77 GLU HA 1 77 GLU CA 1 77 GLU CB 1 77 GLU HB3 0.00 120.00 122.67 123.48 123.23 3.48 2 0 "[ . 1 ]"
154 . 1 79 LYS HA 1 79 LYS CA 1 79 LYS CB 1 79 LYS HB3 -120.00 0.00 -85.36 -88.41 -76.59 . . 0 "[ . 1 ]"
155 . 1 81 ASN HA 1 81 ASN CA 1 81 ASN CB 1 81 ASN HB3 0.00 120.00 83.47 79.31 64.02 . . 0 "[ . 1 ]"
156 . 1 82 SER HA 1 82 SER CA 1 82 SER CB 1 82 SER HB3 -120.00 0.00 -74.80 -80.76 -81.98 . . 0 "[ . 1 ]"
157 . 1 83 ARG HA 1 83 ARG CA 1 83 ARG CB 1 83 ARG HB3 -120.00 0.00 -117.61 -115.81 -118.06 1.66 5 0 "[ . 1 ]"
158 . 1 93 GLU HA 1 93 GLU CA 1 93 GLU CB 1 93 GLU HB3 0.00 120.00 44.11 32.07 57.60 . . 0 "[ . 1 ]"
159 . 1 95 ASP HA 1 95 ASP CA 1 95 ASP CB 1 95 ASP HB3 0.00 120.00 63.27 53.70 69.39 . . 0 "[ . 1 ]"
160 . 1 100 ASP HA 1 100 ASP CA 1 100 ASP CB 1 100 ASP HB3 -120.00 0.00 -99.55 -102.31 -96.41 . . 0 "[ . 1 ]"
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