NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518842 |
2lhf   |
17842 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lhf
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 187
_TA_constraint_stats_list.Viol_count 772
_TA_constraint_stats_list.Viol_total 3514.07
_TA_constraint_stats_list.Viol_max 1.94
_TA_constraint_stats_list.Viol_rms 0.15
_TA_constraint_stats_list.Viol_average_all_restraints 0.05
_TA_constraint_stats_list.Viol_average_violations_only 0.23
_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 1 ALA C 1 2 ASP N 1 2 ASP CA 1 2 ASP C -163.00 -83.00 -126.05 -123.07 -132.05 0.09 17 0 "[ . 1 . 2]"
2 . 1 2 ASP C 1 3 ASN N 1 3 ASN CA 1 3 ASN C -112.00 -56.00 -94.68 -112.51 -60.62 0.51 3 0 "[ . 1 . 2]"
3 . 1 3 ASN C 1 4 PHE N 1 4 PHE CA 1 4 PHE C -156.00 -124.00 -134.68 -129.05 -131.07 0.12 4 0 "[ . 1 . 2]"
4 . 1 4 PHE C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -163.00 -119.00 -154.51 -154.08 -154.58 . . 0 "[ . 1 . 2]"
5 . 1 6 GLY C 1 7 LEU N 1 7 LEU CA 1 7 LEU C -161.00 -113.00 -134.77 -159.19 -118.24 . . 0 "[ . 1 . 2]"
6 . 1 7 LEU C 1 8 THR N 1 8 THR CA 1 8 THR C -171.00 -89.00 -128.03 -148.42 -100.58 . . 0 "[ . 1 . 2]"
7 . 1 8 THR C 1 9 TRP N 1 9 TRP CA 1 9 TRP C -153.00 -109.00 -137.57 -130.62 -134.33 0.10 11 0 "[ . 1 . 2]"
8 . 1 10 GLY C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -164.00 -80.00 -97.63 -121.97 -79.93 0.07 8 0 "[ . 1 . 2]"
9 . 1 11 GLU C 1 12 THR N 1 12 THR CA 1 12 THR C -142.00 -82.00 -109.42 -140.75 -81.94 0.06 20 0 "[ . 1 . 2]"
10 . 1 12 THR C 1 13 SER N 1 13 SER CA 1 13 SER C -150.00 -74.00 -150.10 -150.18 -150.02 0.18 19 0 "[ . 1 . 2]"
11 . 1 14 ASN C 1 15 ASN N 1 15 ASN CA 1 15 ASN C -96.00 -60.00 -78.67 -78.54 -83.06 0.13 11 0 "[ . 1 . 2]"
12 . 1 39 GLY C 1 40 THR N 1 40 THR CA 1 40 THR C -143.00 -95.00 -125.54 -143.01 -94.99 0.01 4 0 "[ . 1 . 2]"
13 . 1 40 THR C 1 41 TRP N 1 41 TRP CA 1 41 TRP C -162.00 -86.00 -123.75 -126.27 -128.31 0.13 4 0 "[ . 1 . 2]"
14 . 1 41 TRP C 1 42 GLY N 1 42 GLY CA 1 42 GLY C 179.00 -101.00 -162.43 178.94 -132.40 0.06 19 0 "[ . 1 . 2]"
15 . 1 42 GLY C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -155.00 -107.00 -111.49 -107.04 -107.15 0.56 4 0 "[ . 1 . 2]"
16 . 1 43 ILE C 1 44 ARG N 1 44 ARG CA 1 44 ARG C -161.00 -101.00 -133.48 -135.97 -137.88 . . 0 "[ . 1 . 2]"
17 . 1 44 ARG C 1 45 ALA N 1 45 ALA CA 1 45 ALA C -177.00 -109.00 -171.91 -174.81 -174.87 0.35 18 0 "[ . 1 . 2]"
18 . 1 46 GLY C 1 47 GLN N 1 47 GLN CA 1 47 GLN C -159.00 -111.00 -140.75 -159.14 -118.34 0.14 15 0 "[ . 1 . 2]"
19 . 1 47 GLN C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -172.00 -84.00 -101.26 -134.57 -83.55 0.45 7 0 "[ . 1 . 2]"
20 . 1 48 GLN C 1 49 PHE N 1 49 PHE CA 1 49 PHE C -135.00 -75.00 -119.07 -105.23 -119.41 0.04 1 0 "[ . 1 . 2]"
21 . 1 49 PHE C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -67.00 -47.00 -63.56 -63.25 -65.38 0.37 20 0 "[ . 1 . 2]"
22 . 1 50 GLU C 1 51 GLN N 1 51 GLN CA 1 51 GLN C -135.00 -55.00 -121.91 -124.63 -126.13 0.91 9 0 "[ . 1 . 2]"
23 . 1 55 TYR C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -151.00 -91.00 -94.80 -90.75 -90.79 0.66 18 0 "[ . 1 . 2]"
24 . 1 56 ALA C 1 57 THR N 1 57 THR CA 1 57 THR C -141.00 -101.00 -131.43 -141.13 -113.68 0.13 5 0 "[ . 1 . 2]"
25 . 1 57 THR C 1 58 TYR N 1 58 TYR CA 1 58 TYR C -149.00 -81.00 -96.09 -94.52 -99.23 0.12 18 0 "[ . 1 . 2]"
26 . 1 58 TYR C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -158.00 -102.00 -114.41 -119.90 -129.34 0.36 4 0 "[ . 1 . 2]"
27 . 1 60 ASN C 1 61 ILE N 1 61 ILE CA 1 61 ILE C -160.00 -100.00 -120.04 -142.81 -151.89 0.14 18 0 "[ . 1 . 2]"
28 . 1 64 THR C 1 65 SER N 1 65 SER CA 1 65 SER C -91.00 -43.00 -76.79 -69.63 -74.19 . . 0 "[ . 1 . 2]"
29 . 1 65 SER C 1 66 SER N 1 66 SER CA 1 66 SER C -124.00 -52.00 -86.82 -72.28 -85.24 . . 0 "[ . 1 . 2]"
30 . 1 67 GLY C 1 68 ASN N 1 68 ASN CA 1 68 ASN C -146.00 -38.00 -112.04 -146.01 -59.50 0.01 4 0 "[ . 1 . 2]"
31 . 1 71 ARG C 1 72 GLN N 1 72 GLN CA 1 72 GLN C 178.00 -98.00 -140.36 -155.79 -162.25 . . 0 "[ . 1 . 2]"
32 . 1 72 GLN C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -176.00 -96.00 -141.10 -170.90 -108.24 . . 0 "[ . 1 . 2]"
33 . 1 73 GLN C 1 74 ASN N 1 74 ASN CA 1 74 ASN C -146.00 -70.00 -131.34 -133.41 -138.04 0.00 4 0 "[ . 1 . 2]"
34 . 1 74 ASN C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -171.00 -83.00 -114.49 -119.31 -124.38 0.01 9 0 "[ . 1 . 2]"
35 . 1 75 LEU C 1 76 LEU N 1 76 LEU CA 1 76 LEU C -158.00 -106.00 -134.67 -123.91 -133.12 0.06 4 0 "[ . 1 . 2]"
36 . 1 76 LEU C 1 77 GLY N 1 77 GLY CA 1 77 GLY C -172.00 -112.00 -115.63 -112.18 -113.39 0.27 18 0 "[ . 1 . 2]"
37 . 1 77 GLY C 1 78 SER N 1 78 SER CA 1 78 SER C -161.00 -81.00 -108.16 -99.18 -104.09 . . 0 "[ . 1 . 2]"
38 . 1 78 SER C 1 79 TYR N 1 79 TYR CA 1 79 TYR C -168.00 -96.00 -123.05 -148.34 -98.45 . . 0 "[ . 1 . 2]"
39 . 1 79 TYR C 1 80 ASP N 1 80 ASP CA 1 80 ASP C -173.00 -101.00 -133.78 -150.26 -120.81 . . 0 "[ . 1 . 2]"
40 . 1 80 ASP C 1 81 ALA N 1 81 ALA CA 1 81 ALA C -150.00 -94.00 -114.33 -115.42 -117.44 . . 0 "[ . 1 . 2]"
41 . 1 81 ALA C 1 82 PHE N 1 82 PHE CA 1 82 PHE C -158.00 -98.00 -97.72 -97.38 -97.51 0.79 2 0 "[ . 1 . 2]"
42 . 1 82 PHE C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -172.00 -108.00 -161.81 -147.93 -155.49 . . 0 "[ . 1 . 2]"
43 . 1 84 PRO C 1 85 ILE N 1 85 ILE CA 1 85 ILE C -156.00 -100.00 -133.48 -108.08 -117.11 1.28 6 0 "[ . 1 . 2]"
44 . 1 89 ASN C 1 90 THR N 1 90 THR CA 1 90 THR C -136.00 -52.00 -104.68 -75.85 -78.78 0.63 18 0 "[ . 1 . 2]"
45 . 1 90 THR C 1 91 LYS N 1 91 LYS CA 1 91 LYS C -132.00 -72.00 -126.30 -132.47 -117.31 0.47 15 0 "[ . 1 . 2]"
46 . 1 91 LYS C 1 92 LEU N 1 92 LEU CA 1 92 LEU C -172.00 -56.00 -60.61 -60.54 -61.51 0.68 8 0 "[ . 1 . 2]"
47 . 1 92 LEU C 1 93 PHE N 1 93 PHE CA 1 93 PHE C -159.00 -111.00 -111.47 -111.02 -111.04 1.58 8 0 "[ . 1 . 2]"
48 . 1 95 GLY C 1 96 ALA N 1 96 ALA CA 1 96 ALA C -161.00 -109.00 -124.55 -141.06 -108.85 0.15 11 0 "[ . 1 . 2]"
49 . 1 96 ALA C 1 97 THR N 1 97 THR CA 1 97 THR C -159.00 -103.00 -139.92 -159.01 -118.93 0.01 17 0 "[ . 1 . 2]"
50 . 1 97 THR C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -160.00 -104.00 -158.96 -159.25 -159.89 0.29 5 0 "[ . 1 . 2]"
51 . 1 99 GLY C 1 100 LEU N 1 100 LEU CA 1 100 LEU C -155.00 -107.00 -153.33 -155.60 -136.27 0.60 7 0 "[ . 1 . 2]"
52 . 1 100 LEU C 1 101 VAL N 1 101 VAL CA 1 101 VAL C -158.00 -110.00 -109.76 -109.65 -109.72 0.65 19 0 "[ . 1 . 2]"
53 . 1 101 VAL C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -171.00 -79.00 -124.56 -153.48 -86.12 . . 0 "[ . 1 . 2]"
54 . 1 102 LYS C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -149.00 -97.00 -121.87 -148.96 -98.12 . . 0 "[ . 1 . 2]"
55 . 1 103 LEU C 1 104 GLU N 1 104 GLU CA 1 104 GLU C -180.00 -100.00 -130.45 -169.61 -108.37 . . 0 "[ . 1 . 2]"
56 . 1 104 GLU C 1 105 GLN N 1 105 GLN CA 1 105 GLN C 174.00 -54.00 -122.91 -175.68 -78.05 . . 0 "[ . 1 . 2]"
57 . 1 109 GLY C 1 110 PHE N 1 110 PHE CA 1 110 PHE C -113.00 -45.00 -85.02 -78.36 -84.84 . . 0 "[ . 1 . 2]"
58 . 1 110 PHE C 1 111 LYS N 1 111 LYS CA 1 111 LYS C -161.00 -39.00 -114.97 -156.48 -70.53 . . 0 "[ . 1 . 2]"
59 . 1 115 ASP C 1 116 VAL N 1 116 VAL CA 1 116 VAL C -170.00 -74.00 -129.42 -104.56 -130.38 0.01 10 0 "[ . 1 . 2]"
60 . 1 117 GLY C 1 118 TYR N 1 118 TYR CA 1 118 TYR C -152.00 -84.00 -100.89 -135.52 -83.96 0.04 13 0 "[ . 1 . 2]"
61 . 1 118 TYR C 1 119 ALA N 1 119 ALA CA 1 119 ALA C -175.00 -95.00 -108.92 -100.47 -106.71 0.06 13 0 "[ . 1 . 2]"
62 . 1 119 ALA C 1 120 ALA N 1 120 ALA CA 1 120 ALA C -172.00 -112.00 -168.20 -172.03 -172.05 0.07 15 0 "[ . 1 . 2]"
63 . 1 121 GLY C 1 122 LEU N 1 122 LEU CA 1 122 LEU C -157.00 -113.00 -147.02 -157.11 -138.36 0.11 14 0 "[ . 1 . 2]"
64 . 1 123 GLN C 1 124 ALA N 1 124 ALA CA 1 124 ALA C 177.00 -71.00 178.33 176.84 -175.15 0.16 3 0 "[ . 1 . 2]"
65 . 1 125 GLY C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -162.00 -106.00 -160.15 -162.26 -156.65 0.26 12 0 "[ . 1 . 2]"
66 . 1 126 ILE C 1 127 LEU N 1 127 LEU CA 1 127 LEU C -175.00 -95.00 -95.55 -104.01 -94.13 0.87 1 0 "[ . 1 . 2]"
67 . 1 127 LEU C 1 128 GLN N 1 128 GLN CA 1 128 GLN C -147.00 -91.00 -99.01 -91.62 -92.58 . . 0 "[ . 1 . 2]"
68 . 1 128 GLN C 1 129 GLU N 1 129 GLU CA 1 129 GLU C -131.00 -51.00 -102.42 -128.72 -69.24 . . 0 "[ . 1 . 2]"
69 . 1 130 LEU C 1 131 SER N 1 131 SER CA 1 131 SER C -169.00 -77.00 -165.53 -160.93 -165.08 0.21 7 0 "[ . 1 . 2]"
70 . 1 133 ASN C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -166.00 -98.00 -144.43 -130.19 -142.68 0.23 5 0 "[ . 1 . 2]"
71 . 1 134 ALA C 1 135 SER N 1 135 SER CA 1 135 SER C -156.00 -104.00 -134.29 -156.10 -104.03 0.10 19 0 "[ . 1 . 2]"
72 . 1 135 SER C 1 136 ILE N 1 136 ILE CA 1 136 ILE C -156.00 -124.00 -136.28 -154.18 -129.26 . . 0 "[ . 1 . 2]"
73 . 1 136 ILE C 1 137 GLU N 1 137 GLU CA 1 137 GLU C -167.00 -111.00 -124.91 -138.87 -112.05 . . 0 "[ . 1 . 2]"
74 . 1 139 GLY C 1 140 TYR N 1 140 TYR CA 1 140 TYR C -144.00 -120.00 -129.13 -139.60 -119.75 0.25 7 0 "[ . 1 . 2]"
75 . 1 140 TYR C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -170.00 -78.00 -144.21 -137.73 -140.36 . . 0 "[ . 1 . 2]"
76 . 1 141 ARG C 1 142 TYR N 1 142 TYR CA 1 142 TYR C -145.00 -97.00 -123.38 -145.06 -101.09 0.06 6 0 "[ . 1 . 2]"
77 . 1 142 TYR C 1 143 LEU N 1 143 LEU CA 1 143 LEU C -161.00 -105.00 -143.21 -160.53 -117.35 . . 0 "[ . 1 . 2]"
78 . 1 143 LEU C 1 144 ARG N 1 144 ARG CA 1 144 ARG C -156.00 -76.00 -126.02 -156.05 -100.20 0.05 12 0 "[ . 1 . 2]"
79 . 1 144 ARG C 1 145 THR N 1 145 THR CA 1 145 THR C -145.00 -109.00 -112.17 -108.89 -108.91 0.18 15 0 "[ . 1 . 2]"
80 . 1 145 THR C 1 146 ASN N 1 146 ASN CA 1 146 ASN C -141.00 -53.00 -125.65 -141.15 -55.44 0.15 16 0 "[ . 1 . 2]"
81 . 1 151 MET C 1 152 THR N 1 152 THR CA 1 152 THR C -127.00 -71.00 -103.70 -126.82 -79.55 . . 0 "[ . 1 . 2]"
82 . 1 160 GLY C 1 161 SER N 1 161 SER CA 1 161 SER C -166.00 -46.00 -118.95 -83.53 -103.03 . . 0 "[ . 1 . 2]"
83 . 1 165 HIS C 1 166 SER N 1 166 SER CA 1 166 SER C 156.00 -64.00 -119.50 -162.07 -63.95 0.05 14 0 "[ . 1 . 2]"
84 . 1 166 SER C 1 167 SER N 1 167 SER CA 1 167 SER C -178.00 -98.00 -118.27 -157.53 -97.95 0.05 4 0 "[ . 1 . 2]"
85 . 1 167 SER C 1 168 SER N 1 168 SER CA 1 168 SER C -159.00 -107.00 -107.92 -106.90 -106.93 0.17 5 0 "[ . 1 . 2]"
86 . 1 168 SER C 1 169 GLN N 1 169 GLN CA 1 169 GLN C -156.00 -104.00 -139.42 -156.02 -113.08 0.02 15 0 "[ . 1 . 2]"
87 . 1 169 GLN C 1 170 PHE N 1 170 PHE CA 1 170 PHE C -173.00 -65.00 -105.97 -126.53 -91.54 . . 0 "[ . 1 . 2]"
88 . 1 170 PHE C 1 171 TYR N 1 171 TYR CA 1 171 TYR C -163.00 -111.00 -131.55 -147.18 -119.84 . . 0 "[ . 1 . 2]"
89 . 1 171 TYR C 1 172 LEU N 1 172 LEU CA 1 172 LEU C -163.00 -107.00 -162.08 -163.76 -147.46 0.76 2 0 "[ . 1 . 2]"
90 . 1 173 GLY C 1 174 ALA N 1 174 ALA CA 1 174 ALA C -165.00 -105.00 -124.76 -107.73 -114.98 . . 0 "[ . 1 . 2]"
91 . 1 174 ALA C 1 175 ASN N 1 175 ASN CA 1 175 ASN C -158.00 -102.00 -153.31 -158.05 -145.23 0.05 20 0 "[ . 1 . 2]"
92 . 1 175 ASN C 1 176 TYR N 1 176 TYR CA 1 176 TYR C -143.00 -99.00 -110.80 -143.23 -98.71 0.29 20 0 "[ . 1 . 2]"
93 . 1 176 TYR C 1 177 LYS N 1 177 LYS CA 1 177 LYS C -162.00 -82.00 -83.35 -89.02 -81.39 0.61 3 0 "[ . 1 . 2]"
94 . 1 177 LYS C 1 178 PHE N 1 178 PHE CA 1 178 PHE C -125.00 -85.00 -109.95 -125.14 -85.26 0.14 16 0 "[ . 1 . 2]"
95 . 1 2 ASP N 1 2 ASP CA 1 2 ASP C 1 3 ASN N 108.00 168.00 155.35 149.79 139.84 0.57 15 0 "[ . 1 . 2]"
96 . 1 3 ASN N 1 3 ASN CA 1 3 ASN C 1 4 PHE N 113.00 161.00 134.74 118.53 156.59 . . 0 "[ . 1 . 2]"
97 . 1 4 PHE N 1 4 PHE CA 1 4 PHE C 1 5 VAL N 140.00 176.00 146.65 139.90 139.88 0.41 7 0 "[ . 1 . 2]"
98 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 GLY N 119.00 -177.00 129.26 121.64 144.10 . . 0 "[ . 1 . 2]"
99 . 1 7 LEU N 1 7 LEU CA 1 7 LEU C 1 8 THR N 128.00 168.00 157.48 158.86 154.94 . . 0 "[ . 1 . 2]"
100 . 1 8 THR N 1 8 THR CA 1 8 THR C 1 9 TRP N 103.00 -177.00 141.40 136.38 135.90 . . 0 "[ . 1 . 2]"
101 . 1 9 TRP N 1 9 TRP CA 1 9 TRP C 1 10 GLY N 113.00 153.00 117.04 112.88 137.18 0.12 5 0 "[ . 1 . 2]"
102 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 THR N 110.00 -170.00 121.90 122.83 120.03 0.06 12 0 "[ . 1 . 2]"
103 . 1 12 THR N 1 12 THR CA 1 12 THR C 1 13 SER N 103.00 147.00 123.38 108.58 106.43 0.09 9 0 "[ . 1 . 2]"
104 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 ASN N 103.00 155.00 102.82 102.76 102.89 0.24 3 0 "[ . 1 . 2]"
105 . 1 15 ASN N 1 15 ASN CA 1 15 ASN C 1 16 ILE N 95.00 163.00 131.46 162.09 150.87 0.12 10 0 "[ . 1 . 2]"
106 . 1 40 THR N 1 40 THR CA 1 40 THR C 1 41 TRP N 108.00 156.00 122.60 107.86 149.79 0.14 6 0 "[ . 1 . 2]"
107 . 1 41 TRP N 1 41 TRP CA 1 41 TRP C 1 42 GLY N 105.00 -179.00 139.54 137.36 132.73 0.04 4 0 "[ . 1 . 2]"
108 . 1 42 GLY N 1 42 GLY CA 1 42 GLY C 1 43 ILE N 123.00 -165.00 -171.77 157.94 -164.83 0.17 3 0 "[ . 1 . 2]"
109 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 ARG N 125.00 -167.00 162.28 124.82 177.12 0.18 4 0 "[ . 1 . 2]"
110 . 1 44 ARG N 1 44 ARG CA 1 44 ARG C 1 45 ALA N 109.00 173.00 140.88 131.92 158.53 . . 0 "[ . 1 . 2]"
111 . 1 45 ALA N 1 45 ALA CA 1 45 ALA C 1 46 GLY N 108.00 -176.00 120.63 111.11 124.38 . . 0 "[ . 1 . 2]"
112 . 1 47 GLN N 1 47 GLN CA 1 47 GLN C 1 48 GLN N 113.00 177.00 132.48 139.39 136.37 . . 0 "[ . 1 . 2]"
113 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 PHE N 110.00 162.00 132.77 109.54 162.57 0.57 13 0 "[ . 1 . 2]"
114 . 1 49 PHE N 1 49 PHE CA 1 49 PHE C 1 50 GLU N 65.00 -167.00 170.26 145.71 -166.74 0.26 9 0 "[ . 1 . 2]"
115 . 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 GLN N -47.00 -15.00 -26.89 -22.28 -23.29 0.18 9 0 "[ . 1 . 2]"
116 . 1 51 GLN N 1 51 GLN CA 1 51 GLN C 1 52 GLY N -36.00 24.00 15.97 -34.70 24.57 0.57 17 0 "[ . 1 . 2]"
117 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 THR N 107.00 167.00 142.81 118.45 162.86 . . 0 "[ . 1 . 2]"
118 . 1 57 THR N 1 57 THR CA 1 57 THR C 1 58 TYR N 111.00 147.00 119.78 118.43 117.29 . . 0 "[ . 1 . 2]"
119 . 1 58 TYR N 1 58 TYR CA 1 58 TYR C 1 59 GLU N 101.00 165.00 119.26 100.93 149.98 0.07 17 0 "[ . 1 . 2]"
120 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 ASN N 116.00 180.00 168.92 176.72 176.71 0.09 3 0 "[ . 1 . 2]"
121 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 SER N 109.00 145.00 125.79 108.92 145.11 0.11 18 0 "[ . 1 . 2]"
122 . 1 65 SER N 1 65 SER CA 1 65 SER C 1 66 SER N -61.00 -5.00 -39.45 -34.42 -35.86 . . 0 "[ . 1 . 2]"
123 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 GLY N -37.00 27.00 -19.44 -37.08 27.16 0.16 1 0 "[ . 1 . 2]"
124 . 1 68 ASN N 1 68 ASN CA 1 68 ASN C 1 69 LYS N 97.00 177.00 136.52 129.09 128.35 0.10 19 0 "[ . 1 . 2]"
125 . 1 72 GLN N 1 72 GLN CA 1 72 GLN C 1 73 GLN N 113.00 -171.00 154.38 122.37 -178.43 . . 0 "[ . 1 . 2]"
126 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 ASN N 121.00 177.00 141.91 121.06 167.53 . . 0 "[ . 1 . 2]"
127 . 1 74 ASN N 1 74 ASN CA 1 74 ASN C 1 75 LEU N 111.00 151.00 115.89 110.87 131.11 0.13 2 0 "[ . 1 . 2]"
128 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 LEU N 115.00 159.00 122.20 114.90 145.94 0.10 11 0 "[ . 1 . 2]"
129 . 1 76 LEU N 1 76 LEU CA 1 76 LEU C 1 77 GLY N 108.00 -176.00 140.95 142.38 137.72 0.09 12 0 "[ . 1 . 2]"
130 . 1 77 GLY N 1 77 GLY CA 1 77 GLY C 1 78 SER N 117.00 -163.00 117.64 116.70 125.68 0.30 18 0 "[ . 1 . 2]"
131 . 1 78 SER N 1 78 SER CA 1 78 SER C 1 79 TYR N 113.00 177.00 134.72 119.95 156.71 . . 0 "[ . 1 . 2]"
132 . 1 79 TYR N 1 79 TYR CA 1 79 TYR C 1 80 ASP N 111.00 175.00 110.92 110.94 110.89 0.33 8 0 "[ . 1 . 2]"
133 . 1 80 ASP N 1 80 ASP CA 1 80 ASP C 1 81 ALA N 132.00 172.00 167.47 171.87 171.19 0.18 2 0 "[ . 1 . 2]"
134 . 1 81 ALA N 1 81 ALA CA 1 81 ALA C 1 82 PHE N 119.00 159.00 120.68 121.89 120.60 0.72 3 0 "[ . 1 . 2]"
135 . 1 82 PHE N 1 82 PHE CA 1 82 PHE C 1 83 LEU N 118.00 174.00 163.38 166.94 166.42 . . 0 "[ . 1 . 2]"
136 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 PRO N 111.00 175.00 131.20 117.85 143.07 . . 0 "[ . 1 . 2]"
137 . 1 85 ILE N 1 85 ILE CA 1 85 ILE C 1 86 GLY N 98.00 -178.00 111.42 97.73 127.23 0.27 20 0 "[ . 1 . 2]"
138 . 1 90 THR N 1 90 THR CA 1 90 THR C 1 91 LYS N 105.00 153.00 146.57 120.95 153.29 0.29 6 0 "[ . 1 . 2]"
139 . 1 91 LYS N 1 91 LYS CA 1 91 LYS C 1 92 LEU N 93.00 173.00 93.35 93.59 92.85 1.04 3 0 "[ . 1 . 2]"
140 . 1 92 LEU N 1 92 LEU CA 1 92 LEU C 1 93 PHE N 104.00 160.00 102.96 102.95 102.88 1.94 6 0 "[ . 1 . 2]"
141 . 1 93 PHE N 1 93 PHE CA 1 93 PHE C 1 94 GLY N 121.00 -167.00 151.03 120.79 161.76 0.21 12 0 "[ . 1 . 2]"
142 . 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 THR N 121.00 -175.00 169.64 176.20 172.94 . . 0 "[ . 1 . 2]"
143 . 1 97 THR N 1 97 THR CA 1 97 THR C 1 98 LEU N 102.00 170.00 155.59 145.54 170.04 0.04 11 0 "[ . 1 . 2]"
144 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 GLY N 121.00 -179.00 130.67 120.99 133.81 0.01 9 0 "[ . 1 . 2]"
145 . 1 100 LEU N 1 100 LEU CA 1 100 LEU C 1 101 VAL N 121.00 165.00 128.23 129.21 128.09 0.38 11 0 "[ . 1 . 2]"
146 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C 1 102 LYS N 113.00 161.00 131.93 115.59 145.41 . . 0 "[ . 1 . 2]"
147 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 LEU N 121.00 145.00 135.45 131.88 130.79 0.07 15 0 "[ . 1 . 2]"
148 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 GLU N 103.00 171.00 142.06 131.16 127.14 . . 0 "[ . 1 . 2]"
149 . 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 GLN N 120.00 176.00 150.47 156.20 150.60 . . 0 "[ . 1 . 2]"
150 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 ASP N 110.00 178.00 158.69 129.81 178.02 0.02 19 0 "[ . 1 . 2]"
151 . 1 110 PHE N 1 110 PHE CA 1 110 PHE C 1 111 LYS N 81.00 173.00 138.01 122.91 106.45 0.05 6 0 "[ . 1 . 2]"
152 . 1 111 LYS N 1 111 LYS CA 1 111 LYS C 1 112 ARG N 69.00 -159.00 131.57 132.64 122.93 . . 0 "[ . 1 . 2]"
153 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 GLY N 101.00 173.00 130.42 117.87 110.81 0.20 7 0 "[ . 1 . 2]"
154 . 1 118 TYR N 1 118 TYR CA 1 118 TYR C 1 119 ALA N 115.00 163.00 122.79 116.25 115.04 0.03 7 0 "[ . 1 . 2]"
155 . 1 119 ALA N 1 119 ALA CA 1 119 ALA C 1 120 ALA N 124.00 172.00 142.70 146.82 145.41 . . 0 "[ . 1 . 2]"
156 . 1 120 ALA N 1 120 ALA CA 1 120 ALA C 1 121 GLY N 122.00 170.00 137.09 141.99 141.33 . . 0 "[ . 1 . 2]"
157 . 1 122 LEU N 1 122 LEU CA 1 122 LEU C 1 123 GLN N 137.00 -179.00 164.32 169.65 165.64 . . 0 "[ . 1 . 2]"
158 . 1 124 ALA N 1 124 ALA CA 1 124 ALA C 1 125 GLY N 143.00 179.00 142.45 142.46 142.44 1.02 12 0 "[ . 1 . 2]"
159 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 LEU N 121.00 161.00 120.68 120.01 121.99 0.99 3 0 "[ . 1 . 2]"
160 . 1 127 LEU N 1 127 LEU CA 1 127 LEU C 1 128 GLN N 107.00 163.00 113.59 109.28 117.69 . . 0 "[ . 1 . 2]"
161 . 1 128 GLN N 1 128 GLN CA 1 128 GLN C 1 129 GLU N 105.00 161.00 130.05 139.27 131.16 0.12 2 0 "[ . 1 . 2]"
162 . 1 129 GLU N 1 129 GLU CA 1 129 GLU C 1 130 LEU N 109.00 149.00 148.72 144.35 149.35 0.35 19 0 "[ . 1 . 2]"
163 . 1 131 SER N 1 131 SER CA 1 131 SER C 1 132 LYS N 115.00 -165.00 -166.11 -173.98 -164.57 0.43 8 0 "[ . 1 . 2]"
164 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 SER N 112.00 172.00 151.85 146.71 146.18 . . 0 "[ . 1 . 2]"
165 . 1 135 SER N 1 135 SER CA 1 135 SER C 1 136 ILE N 124.00 -176.00 172.83 -177.30 -178.64 0.20 19 0 "[ . 1 . 2]"
166 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 GLU N 135.00 171.00 137.17 144.96 136.35 0.33 11 0 "[ . 1 . 2]"
167 . 1 137 GLU N 1 137 GLU CA 1 137 GLU C 1 138 GLY N 126.00 178.00 146.77 127.57 176.88 . . 0 "[ . 1 . 2]"
168 . 1 140 TYR N 1 140 TYR CA 1 140 TYR C 1 141 ARG N 121.00 161.00 158.88 146.91 161.21 0.21 12 0 "[ . 1 . 2]"
169 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 TYR N 113.00 149.00 136.28 136.58 132.74 0.03 8 0 "[ . 1 . 2]"
170 . 1 142 TYR N 1 142 TYR CA 1 142 TYR C 1 143 LEU N 98.00 166.00 132.57 138.71 133.92 . . 0 "[ . 1 . 2]"
171 . 1 143 LEU N 1 143 LEU CA 1 143 LEU C 1 144 ARG N 122.00 174.00 149.57 147.19 146.96 0.01 9 0 "[ . 1 . 2]"
172 . 1 144 ARG N 1 144 ARG CA 1 144 ARG C 1 145 THR N 112.00 164.00 146.56 111.96 163.97 0.04 14 0 "[ . 1 . 2]"
173 . 1 145 THR N 1 145 THR CA 1 145 THR C 1 146 ASN N 124.00 172.00 139.16 123.76 172.12 0.24 2 0 "[ . 1 . 2]"
174 . 1 146 ASN N 1 146 ASN CA 1 146 ASN C 1 147 ALA N 115.00 163.00 124.35 114.85 163.27 0.27 15 0 "[ . 1 . 2]"
175 . 1 152 THR N 1 152 THR CA 1 152 THR C 1 153 PRO N 92.00 164.00 124.93 91.87 154.55 0.13 7 0 "[ . 1 . 2]"
176 . 1 161 SER N 1 161 SER CA 1 161 SER C 1 162 LEU N 124.00 176.00 151.55 127.41 176.08 0.08 11 0 "[ . 1 . 2]"
177 . 1 166 SER N 1 166 SER CA 1 166 SER C 1 167 SER N 136.00 176.00 164.95 148.64 176.05 0.05 7 0 "[ . 1 . 2]"
178 . 1 167 SER N 1 167 SER CA 1 167 SER C 1 168 SER N 105.00 -171.00 153.85 119.72 -177.46 . . 0 "[ . 1 . 2]"
179 . 1 168 SER N 1 168 SER CA 1 168 SER C 1 169 GLN N 106.00 -178.00 126.25 136.16 131.23 . . 0 "[ . 1 . 2]"
180 . 1 169 GLN N 1 169 GLN CA 1 169 GLN C 1 170 PHE N 115.00 155.00 155.05 152.11 155.38 0.38 13 0 "[ . 1 . 2]"
181 . 1 170 PHE N 1 170 PHE CA 1 170 PHE C 1 171 TYR N 113.00 165.00 152.65 120.55 165.38 0.38 6 0 "[ . 1 . 2]"
182 . 1 171 TYR N 1 171 TYR CA 1 171 TYR C 1 172 LEU N 127.00 179.00 132.55 173.90 129.98 0.56 7 0 "[ . 1 . 2]"
183 . 1 172 LEU N 1 172 LEU CA 1 172 LEU C 1 173 GLY N 130.00 166.00 133.94 133.26 131.65 0.27 17 0 "[ . 1 . 2]"
184 . 1 174 ALA N 1 174 ALA CA 1 174 ALA C 1 175 ASN N 116.00 172.00 171.59 168.74 172.18 0.18 9 0 "[ . 1 . 2]"
185 . 1 175 ASN N 1 175 ASN CA 1 175 ASN C 1 176 TYR N 115.00 163.00 116.51 116.68 116.14 0.50 11 0 "[ . 1 . 2]"
186 . 1 176 TYR N 1 176 TYR CA 1 176 TYR C 1 177 LYS N 112.00 144.00 114.60 116.92 115.87 0.66 19 0 "[ . 1 . 2]"
187 . 1 177 LYS N 1 177 LYS CA 1 177 LYS C 1 178 PHE N 112.00 164.00 157.83 145.93 164.07 0.07 15 0 "[ . 1 . 2]"
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