NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516481 |
1zwo   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1zwo
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 313
_TA_constraint_stats_list.Viol_count 6260
_TA_constraint_stats_list.Viol_total 580283.38
_TA_constraint_stats_list.Viol_max 72.37
_TA_constraint_stats_list.Viol_rms 6.71
_TA_constraint_stats_list.Viol_average_all_restraints 4.63
_TA_constraint_stats_list.Viol_average_violations_only 4.63
_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 4 GLY C 1 5 GLY N 1 5 GLY CA 1 5 GLY C -76.00 -76.00 -77.36 -77.21 -77.82 3.88 16 0 "[ . 1 . 2]"
2 . 1 5 GLY N 1 5 GLY CA 1 5 GLY C 1 6 LYS N 147.47 147.47 152.39 145.27 160.71 13.24 20 10 "[* . 1 *****-**+]"
3 . 1 5 GLY C 1 6 LYS N 1 6 LYS CA 1 6 LYS C -143.77 -143.77 -150.50 -153.85 -147.49 10.08 4 13 "[ **+******** - *2]"
4 . 1 6 LYS N 1 6 LYS CA 1 6 LYS C 1 7 ILE N 132.78 132.78 137.44 137.34 136.99 6.34 7 8 "[ ***.*+* -* . 2]"
5 . 1 6 LYS C 1 7 ILE N 1 7 ILE CA 1 7 ILE C -122.04 -122.04 -130.36 -130.43 -130.58 8.91 15 20 [****-*********+*****]
6 . 1 7 ILE N 1 7 ILE CA 1 7 ILE C 1 8 SER N 131.76 131.76 140.25 138.33 141.14 9.38 19 20 [*********-********+*]
7 . 1 7 ILE C 1 8 SER N 1 8 SER CA 1 8 SER C -119.01 -119.01 -121.48 -121.30 -121.38 3.25 3 0 "[ . 1 . 2]"
8 . 1 8 SER N 1 8 SER CA 1 8 SER C 1 9 PHE N 127.42 127.42 130.40 129.82 130.96 3.54 11 0 "[ . 1 . 2]"
9 . 1 8 SER C 1 9 PHE N 1 9 PHE CA 1 9 PHE C -105.85 -105.85 -110.49 -109.02 -109.81 5.34 6 8 "[ * .+ * ** -* * 2]"
10 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 TYR N 138.69 138.69 140.08 139.32 140.71 2.02 3 0 "[ . 1 . 2]"
11 . 1 9 PHE C 1 10 TYR N 1 10 TYR CA 1 10 TYR C -126.10 -126.10 -122.07 -121.98 -122.04 4.69 7 0 "[ . 1 . 2]"
12 . 1 10 TYR N 1 10 TYR CA 1 10 TYR C 1 11 GLU N 140.94 140.94 138.30 137.73 138.71 3.21 2 0 "[ . 1 . 2]"
13 . 1 10 TYR C 1 11 GLU N 1 11 GLU CA 1 11 GLU C -71.99 -71.99 -69.37 -69.80 -68.54 3.45 5 0 "[ . 1 . 2]"
14 . 1 11 GLU N 1 11 GLU CA 1 11 GLU C 1 12 ASP N -29.59 -29.59 -27.43 -28.13 -27.13 2.46 10 0 "[ . 1 . 2]"
15 . 1 11 GLU C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -114.48 -114.48 -114.16 -114.53 -113.78 0.70 7 0 "[ . 1 . 2]"
16 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 ARG N 170.70 170.70 169.99 169.63 169.44 1.27 6 0 "[ . 1 . 2]"
17 . 1 12 ASP C 1 13 ARG N 1 13 ARG CA 1 13 ARG C -73.53 -73.53 -75.39 -75.91 -74.88 2.38 16 0 "[ . 1 . 2]"
18 . 1 13 ARG N 1 13 ARG CA 1 13 ARG C 1 14 ASN N 153.69 153.69 159.12 157.81 162.06 8.37 3 5 "[ + . -1* . * *2]"
19 . 1 13 ARG C 1 14 ASN N 1 14 ASN CA 1 14 ASN C 61.84 61.84 65.19 62.40 66.44 4.60 7 0 "[ . 1 . 2]"
20 . 1 14 ASN N 1 14 ASN CA 1 14 ASN C 1 15 PHE N 35.92 35.92 34.29 35.11 35.07 2.77 15 0 "[ . 1 . 2]"
21 . 1 14 ASN C 1 15 PHE N 1 15 PHE CA 1 15 PHE C 51.52 51.52 52.30 49.93 49.85 4.17 7 0 "[ . 1 . 2]"
22 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 GLN N 45.60 45.60 43.05 44.62 44.31 5.31 3 1 "[ + . 1 . 2]"
23 . 1 15 PHE C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -117.28 -117.28 -112.08 -112.37 -112.58 7.89 9 7 "[ * - *+1* . * *2]"
24 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 GLY N 162.90 162.90 165.76 165.42 166.16 3.26 5 0 "[ . 1 . 2]"
25 . 1 16 GLN C 1 17 GLY N 1 17 GLY CA 1 17 GLY C 82.58 82.58 89.08 89.39 89.29 7.22 9 20 [********+***-*******]
26 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 ARG N -173.12 -173.12 -167.73 -168.16 -167.25 5.87 13 19 "[**-*********+***** *]"
27 . 1 17 GLY C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -60.23 -60.23 -69.00 -69.19 -69.33 9.24 9 20 [********+**********-]
28 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 ARG N 137.71 137.71 142.80 142.84 142.68 6.10 9 10 "[ ** .* *+1* *.-* *2]"
29 . 1 18 ARG C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -121.52 -121.52 -122.34 -123.54 -120.27 2.02 19 0 "[ . 1 . 2]"
30 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 TYR N 150.32 150.32 150.09 148.81 151.22 1.51 13 0 "[ . 1 . 2]"
31 . 1 19 ARG C 1 20 TYR N 1 20 TYR CA 1 20 TYR C -131.76 -131.76 -136.37 -138.24 -132.68 6.48 3 6 "[ + . *1* * - *]"
32 . 1 20 TYR N 1 20 TYR CA 1 20 TYR C 1 21 ASP N 126.31 126.31 132.76 133.28 133.16 8.19 3 19 "[**+**-****** *******]"
33 . 1 20 TYR C 1 21 ASP N 1 21 ASP CA 1 21 ASP C -112.15 -112.15 -109.49 -109.75 -110.25 3.77 18 0 "[ . 1 . 2]"
34 . 1 21 ASP N 1 21 ASP CA 1 21 ASP C 1 22 CYS N 133.61 133.61 136.05 136.05 135.96 3.31 3 0 "[ . 1 . 2]"
35 . 1 21 ASP C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -131.34 -131.34 -127.88 -127.44 -127.63 4.40 2 0 "[ . 1 . 2]"
36 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 ASP N 138.64 138.64 137.94 137.31 138.49 1.33 20 0 "[ . 1 . 2]"
37 . 1 22 CYS C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -119.91 -119.91 -119.00 -118.95 -119.16 2.35 13 0 "[ . 1 . 2]"
38 . 1 23 ASP N 1 23 ASP CA 1 23 ASP C 1 24 CYS N 9.98 9.98 11.65 10.74 12.32 2.34 7 0 "[ . 1 . 2]"
39 . 1 23 ASP C 1 24 CYS N 1 24 CYS CA 1 24 CYS C -155.14 -155.14 -159.56 -160.18 -158.31 5.04 17 1 "[ . 1 . + 2]"
40 . 1 24 CYS N 1 24 CYS CA 1 24 CYS C 1 25 ASP N 175.50 175.50 173.62 173.19 174.15 2.31 2 0 "[ . 1 . 2]"
41 . 1 24 CYS C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -61.03 -61.03 -63.03 -63.55 -62.62 2.52 6 0 "[ . 1 . 2]"
42 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 CYS N 143.36 143.36 145.95 146.26 146.09 3.31 3 0 "[ . 1 . 2]"
43 . 1 25 ASP C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -133.94 -133.94 -134.37 -134.89 -134.93 1.29 20 0 "[ . 1 . 2]"
44 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 ALA N 114.70 114.70 118.42 119.19 118.68 4.99 19 0 "[ . 1 . 2]"
45 . 1 26 CYS C 1 27 ALA N 1 27 ALA CA 1 27 ALA C -79.88 -79.88 -77.93 -79.20 -76.83 3.05 13 0 "[ . 1 . 2]"
46 . 1 27 ALA N 1 27 ALA CA 1 27 ALA C 1 28 ASP N -24.93 -24.93 -21.21 -21.08 -21.25 4.91 14 0 "[ . 1 . 2]"
47 . 1 27 ALA C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -152.46 -152.46 -153.00 -153.96 -154.16 2.88 6 0 "[ . 1 . 2]"
48 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 PHE N 102.04 102.04 105.65 105.68 105.36 5.08 19 1 "[ . 1 . +2]"
49 . 1 28 ASP C 1 29 PHE N 1 29 PHE CA 1 29 PHE C -93.96 -93.96 -102.63 -107.08 -100.68 13.12 13 20 [********-***+*******]
50 . 1 29 PHE N 1 29 PHE CA 1 29 PHE C 1 30 ARG N -2.67 -2.67 6.54 3.46 10.06 12.73 13 20 [*****-******+*******]
51 . 1 29 PHE C 1 30 ARG N 1 30 ARG CA 1 30 ARG C -57.47 -57.47 -61.10 -62.75 -59.20 5.28 7 2 "[ . + 1 . - 2]"
52 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 SER N -27.88 -27.88 -28.76 -30.37 -23.19 4.69 13 0 "[ . 1 . 2]"
53 . 1 30 ARG C 1 31 SER N 1 31 SER CA 1 31 SER C -74.33 -74.33 -76.83 -77.53 -75.23 3.20 6 0 "[ . 1 . 2]"
54 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 TYR N -15.20 -15.20 -17.40 -19.04 -15.01 3.84 17 0 "[ . 1 . 2]"
55 . 1 31 SER C 1 32 TYR N 1 32 TYR CA 1 32 TYR C -107.33 -107.33 -106.49 -106.99 -107.22 4.25 13 0 "[ . 1 . 2]"
56 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 LEU N -22.19 -22.19 -20.73 -21.96 -19.29 2.90 7 0 "[ . 1 . 2]"
57 . 1 32 TYR C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -153.49 -153.49 -149.07 -151.29 -147.32 6.17 5 1 "[ + 1 . 2]"
58 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 SER N 128.48 128.48 127.56 127.33 127.20 3.36 6 0 "[ . 1 . 2]"
59 . 1 33 LEU C 1 34 SER N 1 34 SER CA 1 34 SER C -83.49 -83.49 -87.02 -87.72 -85.50 4.23 7 0 "[ . 1 . 2]"
60 . 1 34 SER N 1 34 SER CA 1 34 SER C 1 35 ARG N -15.91 -15.91 -12.25 -13.15 -10.58 5.33 13 1 "[ . 1 + . 2]"
61 . 1 34 SER C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -163.26 -163.26 -172.19 -172.91 -170.56 9.65 6 20 [*****+******-*******]
62 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 CYS N 162.26 162.26 161.80 161.99 161.98 1.42 7 0 "[ . 1 . 2]"
63 . 1 35 ARG C 1 36 CYS N 1 36 CYS CA 1 36 CYS C -138.17 -138.17 -143.42 -142.77 -143.19 5.98 5 16 "[* *+*** *-***** ***]"
64 . 1 36 CYS N 1 36 CYS CA 1 36 CYS C 1 37 ASN N 113.30 113.30 116.30 115.04 117.60 4.30 18 0 "[ . 1 . 2]"
65 . 1 36 CYS C 1 37 ASN N 1 37 ASN CA 1 37 ASN C -121.33 -121.33 -108.74 -108.65 -109.33 14.53 9 20 [****-***+***********]
66 . 1 37 ASN C 1 38 SER N 1 38 SER CA 1 38 SER C -158.16 -158.16 -155.31 -153.02 -154.73 5.20 2 3 "[ + . *1 . - 2]"
67 . 1 38 SER N 1 38 SER CA 1 38 SER C 1 39 ILE N 156.11 156.11 153.88 152.88 154.72 3.23 3 0 "[ . 1 . 2]"
68 . 1 38 SER C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -145.72 -145.72 -146.49 -147.23 -145.33 1.51 17 0 "[ . 1 . 2]"
69 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 ARG N 145.02 145.02 147.41 147.35 147.00 3.54 6 0 "[ . 1 . 2]"
70 . 1 39 ILE C 1 40 ARG N 1 40 ARG CA 1 40 ARG C -119.85 -119.85 -123.79 -125.41 -122.21 5.56 6 5 "[ * .+ *1 . * -]"
71 . 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 VAL N 123.65 123.65 124.66 125.48 125.04 2.29 17 0 "[ . 1 . 2]"
72 . 1 40 ARG C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -103.37 -103.37 -105.70 -106.67 -105.03 3.30 10 0 "[ . 1 . 2]"
73 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 GLU N 112.64 112.64 114.09 113.63 114.95 2.31 9 0 "[ . 1 . 2]"
74 . 1 41 VAL C 1 42 GLU N 1 42 GLU CA 1 42 GLU C -85.01 -85.01 -84.79 -84.94 -84.94 1.20 3 0 "[ . 1 . 2]"
75 . 1 42 GLU N 1 42 GLU CA 1 42 GLU C 1 43 GLY N -32.29 -32.29 -34.63 -34.66 -34.72 3.14 5 0 "[ . 1 . 2]"
76 . 1 42 GLU C 1 43 GLY N 1 43 GLY CA 1 43 GLY C -163.78 -163.78 -162.92 -164.23 -162.31 1.47 12 0 "[ . 1 . 2]"
77 . 1 43 GLY N 1 43 GLY CA 1 43 GLY C 1 44 GLY N 151.38 151.38 149.93 149.99 149.45 2.48 12 0 "[ . 1 . 2]"
78 . 1 43 GLY C 1 44 GLY N 1 44 GLY CA 1 44 GLY C 89.38 89.38 85.44 84.70 86.10 4.68 5 0 "[ . 1 . 2]"
79 . 1 44 GLY N 1 44 GLY CA 1 44 GLY C 1 45 THR N 174.86 174.86 172.16 172.31 172.22 3.41 6 0 "[ . 1 . 2]"
80 . 1 44 GLY C 1 45 THR N 1 45 THR CA 1 45 THR C -114.68 -114.68 -118.15 -118.58 -117.55 3.90 12 0 "[ . 1 . 2]"
81 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 TRP N 143.33 143.33 134.20 134.19 134.09 9.98 9 20 [********+**-********]
82 . 1 45 THR C 1 46 TRP N 1 46 TRP CA 1 46 TRP C -135.98 -135.98 -126.80 -127.58 -128.27 9.77 3 20 [-*+*****************]
83 . 1 46 TRP N 1 46 TRP CA 1 46 TRP C 1 47 ALA N 151.73 151.73 154.61 154.04 155.69 3.96 1 0 "[ . 1 . 2]"
84 . 1 46 TRP C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -109.28 -109.28 -109.18 -109.72 -108.57 0.71 20 0 "[ . 1 . 2]"
85 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 VAL N 130.02 130.02 133.92 133.30 134.45 4.43 7 0 "[ . 1 . 2]"
86 . 1 47 ALA C 1 48 VAL N 1 48 VAL CA 1 48 VAL C -111.99 -111.99 -117.18 -119.21 -115.88 7.22 9 10 "[-** . +1****. * *]"
87 . 1 48 VAL N 1 48 VAL CA 1 48 VAL C 1 49 TYR N 144.33 144.33 142.53 142.60 142.49 3.17 5 0 "[ . 1 . 2]"
88 . 1 48 VAL C 1 49 TYR N 1 49 TYR CA 1 49 TYR C -126.33 -126.33 -120.62 -121.08 -120.08 6.25 5 20 [****+*-*************]
89 . 1 49 TYR N 1 49 TYR CA 1 49 TYR C 1 50 GLU N 151.18 151.18 143.84 142.59 145.15 8.59 4 20 [***+****-***********]
90 . 1 49 TYR C 1 50 GLU N 1 50 GLU CA 1 50 GLU C -78.36 -78.36 -65.72 -65.54 -65.84 13.48 16 20 [********-******+****]
91 . 1 50 GLU C 1 51 ARG N 1 51 ARG CA 1 51 ARG C -136.86 -136.86 -124.41 -124.85 -123.09 13.77 14 20 [****-********+******]
92 . 1 51 ARG N 1 51 ARG CA 1 51 ARG C 1 52 PRO N 166.78 166.78 157.94 157.59 158.27 9.19 4 20 [***+*-**************]
93 . 1 51 ARG C 1 52 PRO N 1 52 PRO CA 1 52 PRO C -57.29 -57.29 -53.33 -53.29 -53.36 4.39 12 0 "[ . 1 . 2]"
94 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 ASN N 160.13 160.13 166.42 166.55 166.47 7.03 17 17 "[***-**** ** * **+***]"
95 . 1 52 PRO C 1 53 ASN N 1 53 ASN CA 1 53 ASN C 63.88 63.88 63.47 62.82 64.10 1.06 10 0 "[ . 1 . 2]"
96 . 1 53 ASN N 1 53 ASN CA 1 53 ASN C 1 54 PHE N 35.91 35.91 36.72 36.50 36.44 1.40 6 0 "[ . 1 . 2]"
97 . 1 53 ASN C 1 54 PHE N 1 54 PHE CA 1 54 PHE C 45.55 45.55 45.24 44.88 45.67 0.67 9 0 "[ . 1 . 2]"
98 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 SER N 49.32 49.32 51.52 51.22 51.92 2.60 6 0 "[ . 1 . 2]"
99 . 1 54 PHE C 1 55 SER N 1 55 SER CA 1 55 SER C -124.79 -124.79 -125.81 -126.13 -126.23 1.44 1 0 "[ . 1 . 2]"
100 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 GLY N 163.95 163.95 163.52 163.22 163.74 0.73 18 0 "[ . 1 . 2]"
101 . 1 55 SER C 1 56 GLY N 1 56 GLY CA 1 56 GLY C 80.83 80.83 88.60 88.46 88.40 8.12 18 20 [*****-***********+**]
102 . 1 56 GLY N 1 56 GLY CA 1 56 GLY C 1 57 HIS N -164.39 -164.39 -161.74 -161.45 -161.54 3.05 10 0 "[ . 1 . 2]"
103 . 1 56 GLY C 1 57 HIS N 1 57 HIS CA 1 57 HIS C -62.32 -62.32 -64.90 -67.40 -64.25 5.08 18 1 "[ . 1 . + 2]"
104 . 1 57 HIS N 1 57 HIS CA 1 57 HIS C 1 58 MET N 140.20 140.20 138.97 139.17 138.90 1.74 6 0 "[ . 1 . 2]"
105 . 1 57 HIS C 1 58 MET N 1 58 MET CA 1 58 MET C -117.60 -117.60 -119.15 -118.91 -119.00 2.29 7 0 "[ . 1 . 2]"
106 . 1 58 MET N 1 58 MET CA 1 58 MET C 1 59 TYR N 142.79 142.79 137.39 136.84 138.30 5.95 6 16 "[*****+-* **** *** *2]"
107 . 1 58 MET C 1 59 TYR N 1 59 TYR CA 1 59 TYR C -123.20 -123.20 -134.75 -134.27 -134.41 12.12 14 20 [*************+***-**]
108 . 1 59 TYR N 1 59 TYR CA 1 59 TYR C 1 60 ILE N 124.31 124.31 139.52 137.39 140.38 16.07 10 20 [********-+**********]
109 . 1 59 TYR C 1 60 ILE N 1 60 ILE CA 1 60 ILE C -97.29 -97.29 -94.72 -96.34 -93.76 3.53 14 0 "[ . 1 . 2]"
110 . 1 60 ILE N 1 60 ILE CA 1 60 ILE C 1 61 LEU N 130.02 130.02 130.69 130.34 130.24 2.27 18 0 "[ . 1 . 2]"
111 . 1 60 ILE C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -119.27 -119.27 -121.15 -122.54 -120.03 3.27 13 0 "[ . 1 . 2]"
112 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 PRO N 110.41 110.41 111.14 110.95 110.86 2.19 18 0 "[ . 1 . 2]"
113 . 1 61 LEU C 1 62 PRO N 1 62 PRO CA 1 62 PRO C -77.63 -77.63 -77.81 -77.90 -77.99 0.64 13 0 "[ . 1 . 2]"
114 . 1 62 PRO N 1 62 PRO CA 1 62 PRO C 1 63 GLN N 165.71 165.71 169.71 169.77 169.76 5.13 11 2 "[ . 1+ . - 2]"
115 . 1 62 PRO C 1 63 GLN N 1 63 GLN CA 1 63 GLN C -55.51 -55.51 -53.36 -53.53 -53.55 3.35 13 0 "[ . 1 . 2]"
116 . 1 63 GLN N 1 63 GLN CA 1 63 GLN C 1 64 GLY N 141.22 141.22 140.93 141.18 141.09 0.99 6 0 "[ . 1 . 2]"
117 . 1 64 GLY C 1 65 GLU N 1 65 GLU CA 1 65 GLU C -114.47 -114.47 -119.59 -118.95 -119.29 6.55 11 10 "[ *. ** -+***.* * 2]"
118 . 1 65 GLU N 1 65 GLU CA 1 65 GLU C 1 66 TYR N 135.04 135.04 131.06 130.09 131.94 4.95 3 0 "[ . 1 . 2]"
119 . 1 65 GLU C 1 66 TYR N 1 66 TYR CA 1 66 TYR C -119.25 -119.25 -121.58 -122.42 -122.94 3.69 1 0 "[ . 1 . 2]"
120 . 1 66 TYR N 1 66 TYR CA 1 66 TYR C 1 67 PRO N 105.91 105.91 96.61 94.79 92.93 13.99 1 20 [+*-*****************]
121 . 1 66 TYR C 1 67 PRO N 1 67 PRO CA 1 67 PRO C -69.21 -69.21 -68.95 -71.30 -63.85 5.36 12 1 "[ . 1 + . 2]"
122 . 1 67 PRO C 1 68 GLU N 1 68 GLU CA 1 68 GLU C -158.78 -158.78 -157.43 -157.96 -156.93 1.85 1 0 "[ . 1 . 2]"
123 . 1 68 GLU N 1 68 GLU CA 1 68 GLU C 1 69 TYR N 159.31 159.31 154.30 153.94 151.05 8.26 1 9 "[+ ** **-* . * *2]"
124 . 1 68 GLU C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -64.08 -64.08 -59.74 -60.08 -59.45 4.63 16 0 "[ . 1 . 2]"
125 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 GLN N -36.66 -36.66 -38.94 -38.82 -38.94 3.02 11 0 "[ . 1 . 2]"
126 . 1 69 TYR C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -61.43 -61.43 -60.00 -60.16 -60.26 1.87 13 0 "[ . 1 . 2]"
127 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 ARG N -28.25 -28.25 -24.03 -24.65 -23.47 4.78 1 0 "[ . 1 . 2]"
128 . 1 70 GLN C 1 71 ARG N 1 71 ARG CA 1 71 ARG C -68.96 -68.96 -70.37 -70.87 -73.13 4.17 1 0 "[ . 1 . 2]"
129 . 1 71 ARG N 1 71 ARG CA 1 71 ARG C 1 72 TRP N -21.80 -21.80 -18.47 -19.11 -15.54 6.26 1 1 "[+ . 1 . 2]"
130 . 1 71 ARG C 1 72 TRP N 1 72 TRP CA 1 72 TRP C -107.95 -107.95 -108.14 -108.69 -107.49 0.74 16 0 "[ . 1 . 2]"
131 . 1 72 TRP N 1 72 TRP CA 1 72 TRP C 1 73 MET N 16.99 16.99 10.44 9.78 9.35 7.64 1 20 [+***-***************]
132 . 1 72 TRP C 1 73 MET N 1 73 MET CA 1 73 MET C 61.28 61.28 60.71 59.04 62.11 2.24 17 0 "[ . 1 . 2]"
133 . 1 73 MET N 1 73 MET CA 1 73 MET C 1 74 GLY N 31.97 31.97 22.47 21.55 23.88 10.42 9 20 [********+**********-]
134 . 1 73 MET C 1 74 GLY N 1 74 GLY CA 1 74 GLY C -53.23 -53.23 -59.87 -59.61 -59.93 7.89 10 20 [*********+****-*****]
135 . 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 LEU N 148.06 148.06 144.69 144.17 145.44 3.89 2 0 "[ . 1 . 2]"
136 . 1 74 GLY C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -85.44 -85.44 -79.52 -80.13 -80.76 6.80 15 19 "[ *************+****-]"
137 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 ASN N -32.02 -32.02 -30.83 -31.28 -31.60 1.84 7 0 "[ . 1 . 2]"
138 . 1 75 LEU C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -157.59 -157.59 -157.23 -157.66 -156.92 0.67 13 0 "[ . 1 . 2]"
139 . 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 ASP N -168.96 -168.96 -171.69 -171.93 -172.21 3.31 1 0 "[ . 1 . 2]"
140 . 1 76 ASN C 1 77 ASP N 1 77 ASP CA 1 77 ASP C -97.47 -97.47 -98.46 -98.25 -98.29 1.56 18 0 "[ . 1 . 2]"
141 . 1 77 ASP N 1 77 ASP CA 1 77 ASP C 1 78 ARG N 30.66 30.66 28.39 27.92 27.65 3.01 1 0 "[ . 1 . 2]"
142 . 1 77 ASP C 1 78 ARG N 1 78 ARG CA 1 78 ARG C -97.33 -97.33 -97.24 -98.27 -96.34 0.99 1 0 "[ . 1 . 2]"
143 . 1 78 ARG N 1 78 ARG CA 1 78 ARG C 1 79 LEU N 121.07 121.07 122.78 122.65 122.56 2.28 4 0 "[ . 1 . 2]"
144 . 1 78 ARG C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -143.17 -143.17 -142.35 -142.36 -142.44 1.79 20 0 "[ . 1 . 2]"
145 . 1 79 LEU N 1 79 LEU CA 1 79 LEU C 1 80 GLY N 122.97 122.97 119.60 119.25 119.10 4.55 20 0 "[ . 1 . 2]"
146 . 1 79 LEU C 1 80 GLY N 1 80 GLY CA 1 80 GLY C -106.86 -106.86 -108.13 -107.46 -107.67 5.26 13 1 "[ . 1 + . 2]"
147 . 1 80 GLY C 1 81 SER N 1 81 SER CA 1 81 SER C -155.16 -155.16 -155.85 -155.84 -156.08 1.32 11 0 "[ . 1 . 2]"
148 . 1 81 SER N 1 81 SER CA 1 81 SER C 1 82 CYS N 153.08 153.08 156.14 155.29 156.87 3.79 13 0 "[ . 1 . 2]"
149 . 1 81 SER C 1 82 CYS N 1 82 CYS CA 1 82 CYS C -140.50 -140.50 -145.52 -145.27 -145.38 5.54 5 9 "[ +** * * ** *-2]"
150 . 1 82 CYS N 1 82 CYS CA 1 82 CYS C 1 83 ARG N 145.84 145.84 148.04 147.63 148.43 2.59 3 0 "[ . 1 . 2]"
151 . 1 82 CYS C 1 83 ARG N 1 83 ARG CA 1 83 ARG C -137.64 -137.64 -137.28 -137.23 -137.32 0.76 4 0 "[ . 1 . 2]"
152 . 1 83 ARG N 1 83 ARG CA 1 83 ARG C 1 84 ALA N 146.09 146.09 141.93 141.42 142.35 4.67 3 0 "[ . 1 . 2]"
153 . 1 83 ARG C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -83.55 -83.55 -78.92 -78.80 -78.86 5.26 18 2 "[ . 1 . +-2]"
154 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 VAL N 134.32 134.32 132.50 131.26 133.73 3.06 18 0 "[ . 1 . 2]"
155 . 1 84 ALA C 1 85 VAL N 1 85 VAL CA 1 85 VAL C -85.17 -85.17 -90.55 -91.92 -89.18 6.75 8 14 "[ -*****+** *. ****]"
156 . 1 85 VAL N 1 85 VAL CA 1 85 VAL C 1 86 HIS N 121.42 121.42 124.29 123.53 124.89 3.47 7 0 "[ . 1 . 2]"
157 . 1 85 VAL C 1 86 HIS N 1 86 HIS CA 1 86 HIS C -93.19 -93.19 -92.03 -94.92 -90.72 2.47 20 0 "[ . 1 . 2]"
158 . 1 86 HIS N 1 86 HIS CA 1 86 HIS C 1 87 LEU N 127.73 127.73 132.08 130.90 134.57 6.84 1 4 "[+ . - 1* . *]"
159 . 1 86 HIS C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -99.54 -99.54 -97.09 -97.12 -98.61 4.97 11 0 "[ . 1 . 2]"
160 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 SER N 143.00 143.00 138.45 137.28 135.41 8.86 11 4 "[* . 1+- * 2]"
161 . 1 87 LEU C 1 88 SER N 1 88 SER CA 1 88 SER C -89.03 -89.03 -110.30 -111.18 -106.79 22.15 6 20 [*****+****-*********]
162 . 1 88 SER N 1 88 SER CA 1 88 SER C 1 89 SER N 119.11 119.11 126.15 123.50 130.27 11.16 11 16 "[** -* ***+********2]"
163 . 1 88 SER C 1 89 SER N 1 89 SER CA 1 89 SER C -99.85 -99.85 -106.12 -103.65 -105.19 15.45 11 6 "[- * .** 1+ . *]"
164 . 1 92 GLN C 1 93 ALA N 1 93 ALA CA 1 93 ALA C -91.89 -91.89 -68.90 -126.50 -65.87 34.61 11 20 [**********+*******-*]
165 . 1 93 ALA N 1 93 ALA CA 1 93 ALA C 1 94 LYS N 128.43 128.43 135.49 137.32 137.09 9.52 4 20 [***+*-**************]
166 . 1 93 ALA C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -127.02 -127.02 -135.33 -144.10 -133.57 17.08 11 20 [**********+**-******]
167 . 1 94 LYS C 1 95 ILE N 1 95 ILE CA 1 95 ILE C -125.31 -125.31 -131.69 -131.84 -132.08 7.19 19 19 "[** **-************+*]"
168 . 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 GLN N 147.48 147.48 141.80 138.09 143.49 9.39 11 17 "[ ***.*** *+********-]"
169 . 1 95 ILE C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -117.89 -117.89 -124.51 -124.56 -124.68 7.22 15 20 [**-***********+*****]
170 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 VAL N 129.62 129.62 139.50 140.04 139.83 10.72 15 20 [*****-********+*****]
171 . 1 96 GLN C 1 97 VAL N 1 97 VAL CA 1 97 VAL C -124.69 -124.69 -124.00 -124.61 -123.13 1.56 14 0 "[ . 1 . 2]"
172 . 1 97 VAL N 1 97 VAL CA 1 97 VAL C 1 98 PHE N 148.26 148.26 146.15 146.07 145.86 3.55 12 0 "[ . 1 . 2]"
173 . 1 97 VAL C 1 98 PHE N 1 98 PHE CA 1 98 PHE C -123.59 -123.59 -120.27 -121.34 -119.34 4.25 14 0 "[ . 1 . 2]"
174 . 1 98 PHE N 1 98 PHE CA 1 98 PHE C 1 99 GLU N 144.56 144.56 140.14 140.24 140.19 5.39 6 2 "[ .+ 1 -. 2]"
175 . 1 98 PHE C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -68.82 -68.82 -68.54 -68.08 -68.27 0.98 2 0 "[ . 1 . 2]"
176 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 LYS N -31.52 -31.52 -32.62 -33.42 -32.09 1.90 20 0 "[ . 1 . 2]"
177 . 1 99 GLU C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -117.52 -117.52 -114.45 -114.60 -114.67 3.85 20 0 "[ . 1 . 2]"
178 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 GLY N 168.12 168.12 166.84 165.14 168.91 2.98 18 0 "[ . 1 . 2]"
179 . 1 100 LYS C 1 101 GLY N 1 101 GLY CA 1 101 GLY C -66.72 -66.72 -68.87 -70.53 -66.93 3.81 17 0 "[ . 1 . 2]"
180 . 1 101 GLY N 1 101 GLY CA 1 101 GLY C 1 102 ASP N 160.69 160.69 164.98 163.52 163.43 9.00 16 5 "[ . 1** -*+ 2]"
181 . 1 101 GLY C 1 102 ASP N 1 102 ASP CA 1 102 ASP C 54.88 54.88 56.55 57.59 57.29 3.32 9 0 "[ . 1 . 2]"
182 . 1 102 ASP N 1 102 ASP CA 1 102 ASP C 1 103 PHE N 40.12 40.12 39.09 37.79 40.09 2.33 7 0 "[ . 1 . 2]"
183 . 1 102 ASP C 1 103 PHE N 1 103 PHE CA 1 103 PHE C 50.50 50.50 52.53 52.15 53.33 2.83 7 0 "[ . 1 . 2]"
184 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C 1 104 ASN N 51.49 51.49 53.78 56.91 56.39 5.42 2 1 "[ + . 1 . 2]"
185 . 1 103 PHE C 1 104 ASN N 1 104 ASN CA 1 104 ASN C -124.67 -124.67 -126.93 -129.60 -121.01 4.93 19 0 "[ . 1 . 2]"
186 . 1 104 ASN N 1 104 ASN CA 1 104 ASN C 1 105 GLY N 164.36 164.36 164.90 165.21 165.03 1.36 20 0 "[ . 1 . 2]"
187 . 1 104 ASN C 1 105 GLY N 1 105 GLY CA 1 105 GLY C 92.12 92.12 90.92 90.06 91.65 2.06 17 0 "[ . 1 . 2]"
188 . 1 105 GLY N 1 105 GLY CA 1 105 GLY C 1 106 GLN N -168.78 -168.78 -162.82 -162.82 -162.91 6.57 4 20 [***+*********-******]
189 . 1 105 GLY C 1 106 GLN N 1 106 GLN CA 1 106 GLN C -73.65 -73.65 -75.69 -76.22 -75.07 2.57 19 0 "[ . 1 . 2]"
190 . 1 106 GLN N 1 106 GLN CA 1 106 GLN C 1 107 MET N 141.28 141.28 141.84 141.18 142.95 1.67 6 0 "[ . 1 . 2]"
191 . 1 106 GLN C 1 107 MET N 1 107 MET CA 1 107 MET C -119.21 -119.21 -116.45 -116.55 -116.64 3.13 16 0 "[ . 1 . 2]"
192 . 1 107 MET N 1 107 MET CA 1 107 MET C 1 108 TYR N 144.56 144.56 143.26 142.79 143.79 1.77 3 0 "[ . 1 . 2]"
193 . 1 107 MET C 1 108 TYR N 1 108 TYR CA 1 108 TYR C -130.95 -130.95 -132.20 -131.91 -131.98 1.61 12 0 "[ . 1 . 2]"
194 . 1 108 TYR N 1 108 TYR CA 1 108 TYR C 1 109 GLU N 134.74 134.74 136.22 135.65 136.65 1.91 8 0 "[ . 1 . 2]"
195 . 1 108 TYR C 1 109 GLU N 1 109 GLU CA 1 109 GLU C -123.61 -123.61 -116.58 -117.36 -115.89 7.72 5 20 [****+*****-*********]
196 . 1 109 GLU N 1 109 GLU CA 1 109 GLU C 1 110 THR N 131.54 131.54 134.22 134.29 134.23 3.18 15 0 "[ . 1 . 2]"
197 . 1 109 GLU C 1 110 THR N 1 110 THR CA 1 110 THR C -151.89 -151.89 -149.41 -149.23 -149.30 3.01 12 0 "[ . 1 . 2]"
198 . 1 110 THR N 1 110 THR CA 1 110 THR C 1 111 THR N 153.28 153.28 148.36 148.02 147.93 5.71 7 8 "[**- .*+*** . 2]"
199 . 1 110 THR C 1 111 THR N 1 111 THR CA 1 111 THR C -104.27 -104.27 -114.95 -115.60 -114.30 11.33 15 20 [*****-********+*****]
200 . 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 GLU N 4.63 4.63 7.70 7.66 7.64 3.51 5 0 "[ . 1 . 2]"
201 . 1 111 THR C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -121.49 -121.49 -122.01 -122.38 -121.56 0.89 19 0 "[ . 1 . 2]"
202 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 ASP N 160.44 160.44 163.37 163.78 163.59 3.34 2 0 "[ . 1 . 2]"
203 . 1 112 GLU C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -65.95 -65.95 -69.54 -70.88 -68.31 4.93 4 0 "[ . 1 . 2]"
204 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 CYS N 150.73 150.73 154.61 152.59 155.78 5.05 4 1 "[ +. 1 . 2]"
205 . 1 113 ASP C 1 114 CYS N 1 114 CYS CA 1 114 CYS C -116.30 -116.30 -127.05 -129.55 -125.80 13.25 4 20 [***+*********-******]
206 . 1 114 CYS N 1 114 CYS CA 1 114 CYS C 1 115 PRO N 123.42 123.42 115.69 113.79 119.79 9.63 15 18 "[****-* *******+* ***]"
207 . 1 114 CYS C 1 115 PRO N 1 115 PRO CA 1 115 PRO C -76.24 -76.24 -75.51 -75.10 -75.20 1.41 4 0 "[ . 1 . 2]"
208 . 1 115 PRO C 1 116 SER N 1 116 SER CA 1 116 SER C -146.27 -146.27 -142.19 -142.12 -142.31 5.36 15 2 "[ . 1 + -]"
209 . 1 116 SER N 1 116 SER CA 1 116 SER C 1 117 ILE N 109.12 109.12 108.04 108.38 108.26 2.28 15 0 "[ . 1 . 2]"
210 . 1 116 SER C 1 117 ILE N 1 117 ILE CA 1 117 ILE C -62.94 -62.94 -64.41 -65.44 -63.50 2.50 15 0 "[ . 1 . 2]"
211 . 1 117 ILE N 1 117 ILE CA 1 117 ILE C 1 118 MET N -37.58 -37.58 -39.59 -39.75 -39.90 2.48 14 0 "[ . 1 . 2]"
212 . 1 117 ILE C 1 118 MET N 1 118 MET CA 1 118 MET C -70.34 -70.34 -66.82 -66.57 -66.64 4.08 13 0 "[ . 1 . 2]"
213 . 1 118 MET N 1 118 MET CA 1 118 MET C 1 119 GLU N -33.46 -33.46 -37.54 -38.17 -36.74 4.71 2 0 "[ . 1 . 2]"
214 . 1 118 MET C 1 119 GLU N 1 119 GLU CA 1 119 GLU C -70.40 -70.40 -69.83 -69.98 -70.15 0.81 9 0 "[ . 1 . 2]"
215 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 GLN N -39.00 -39.00 -38.59 -38.57 -38.61 0.61 15 0 "[ . 1 . 2]"
216 . 1 119 GLU C 1 120 GLN N 1 120 GLN CA 1 120 GLN C -77.86 -77.86 -80.25 -80.78 -79.42 2.92 2 0 "[ . 1 . 2]"
217 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C 1 121 PHE N -43.62 -43.62 -47.33 -47.25 -47.40 4.33 13 0 "[ . 1 . 2]"
218 . 1 120 GLN C 1 121 PHE N 1 121 PHE CA 1 121 PHE C -113.46 -113.46 -110.96 -111.51 -110.11 3.35 15 0 "[ . 1 . 2]"
219 . 1 121 PHE N 1 121 PHE CA 1 121 PHE C 1 122 HIS N -3.36 -3.36 -0.61 -1.36 0.45 3.81 12 0 "[ . 1 . 2]"
220 . 1 121 PHE C 1 122 HIS N 1 122 HIS CA 1 122 HIS C 60.22 60.22 59.93 59.33 61.25 1.03 14 0 "[ . 1 . 2]"
221 . 1 122 HIS N 1 122 HIS CA 1 122 HIS C 1 123 LEU N 36.55 36.55 33.37 33.41 33.30 3.91 6 0 "[ . 1 . 2]"
222 . 1 122 HIS C 1 123 LEU N 1 123 LEU CA 1 123 LEU C -116.14 -116.14 -112.45 -112.60 -112.69 4.51 20 0 "[ . 1 . 2]"
223 . 1 123 LEU N 1 123 LEU CA 1 123 LEU C 1 124 ARG N 134.89 134.89 135.56 135.02 136.52 1.63 14 0 "[ . 1 . 2]"
224 . 1 123 LEU C 1 124 ARG N 1 124 ARG CA 1 124 ARG C -88.83 -88.83 -92.39 -93.65 -91.26 4.82 20 0 "[ . 1 . 2]"
225 . 1 124 ARG N 1 124 ARG CA 1 124 ARG C 1 125 GLU N -23.31 -23.31 -23.21 -24.01 -22.49 0.82 14 0 "[ . 1 . 2]"
226 . 1 124 ARG C 1 125 GLU N 1 125 GLU CA 1 125 GLU C -147.18 -147.18 -149.05 -149.21 -149.34 2.37 6 0 "[ . 1 . 2]"
227 . 1 125 GLU N 1 125 GLU CA 1 125 GLU C 1 126 ILE N 158.66 158.66 163.53 162.55 164.06 5.40 5 6 "[*-* + 1 **. 2]"
228 . 1 125 GLU C 1 126 ILE N 1 126 ILE CA 1 126 ILE C -128.55 -128.55 -131.65 -131.63 -131.70 4.63 20 0 "[ . 1 . 2]"
229 . 1 126 ILE N 1 126 ILE CA 1 126 ILE C 1 127 HIS N 125.10 125.10 129.29 125.50 130.20 5.10 20 1 "[ . 1 . +]"
230 . 1 126 ILE C 1 127 HIS N 1 127 HIS CA 1 127 HIS C -110.32 -110.32 -106.98 -107.18 -107.65 4.78 12 0 "[ . 1 . 2]"
231 . 1 127 HIS N 1 127 HIS CA 1 127 HIS C 1 128 SER N -9.26 -9.26 -13.25 -15.41 -12.12 6.15 14 1 "[ . 1 +. 2]"
232 . 1 127 HIS C 1 128 SER N 1 128 SER CA 1 128 SER C -152.19 -152.19 -155.72 -158.90 -153.52 6.71 16 3 "[ * . 1 .+ -]"
233 . 1 128 SER N 1 128 SER CA 1 128 SER C 1 129 CYS N 167.90 167.90 153.78 152.80 152.11 16.55 1 20 [+******************-]
234 . 1 128 SER C 1 129 CYS N 1 129 CYS CA 1 129 CYS C -164.18 -164.18 -162.23 -164.28 -160.52 3.66 7 0 "[ . 1 . 2]"
235 . 1 129 CYS N 1 129 CYS CA 1 129 CYS C 1 130 LYS N 134.38 134.38 145.52 141.86 147.39 13.01 9 20 [********+*****-*****]
236 . 1 129 CYS C 1 130 LYS N 1 130 LYS CA 1 130 LYS C -132.37 -132.37 -121.66 -124.04 -119.56 12.81 5 20 [****+*********-*****]
237 . 1 130 LYS N 1 130 LYS CA 1 130 LYS C 1 131 VAL N 117.54 117.54 110.78 112.14 111.53 9.26 7 15 "[* * **+**** *.**-**]"
238 . 1 130 LYS C 1 131 VAL N 1 131 VAL CA 1 131 VAL C -99.32 -99.32 -108.28 -110.53 -106.39 11.21 11 20 [**********+***-*****]
239 . 1 131 VAL N 1 131 VAL CA 1 131 VAL C 1 132 VAL N 105.99 105.99 121.83 121.60 121.06 17.76 15 20 [***********-**+*****]
240 . 1 131 VAL C 1 132 VAL N 1 132 VAL CA 1 132 VAL C -97.25 -97.25 -146.52 -147.65 -145.76 50.40 15 20 [***********-**+*****]
241 . 1 132 VAL N 1 132 VAL CA 1 132 VAL C 1 133 GLU N 137.29 137.29 68.38 64.92 71.19 72.37 4 20 [***+**********-*****]
242 . 1 132 VAL C 1 133 GLU N 1 133 GLU CA 1 133 GLU C -129.98 -129.98 173.26 176.14 174.13 58.67 15 20 [*********-****+*****]
243 . 1 134 GLY C 1 135 THR N 1 135 THR CA 1 135 THR C -112.65 -112.65 -111.27 -112.40 -109.55 3.10 11 0 "[ . 1 . 2]"
244 . 1 135 THR C 1 136 TRP N 1 136 TRP CA 1 136 TRP C -125.55 -125.55 -130.19 -131.62 -128.56 6.07 6 7 "[ * -+ 1 * .** *]"
245 . 1 136 TRP N 1 136 TRP CA 1 136 TRP C 1 137 ILE N 135.64 135.64 146.05 146.17 146.03 13.47 16 20 [******-********+****]
246 . 1 136 TRP C 1 137 ILE N 1 137 ILE CA 1 137 ILE C -123.38 -123.38 -117.89 -117.13 -117.36 6.82 11 15 "[*** . ****+ **- ****]"
247 . 1 137 ILE N 1 137 ILE CA 1 137 ILE C 1 138 PHE N 145.74 145.74 141.40 139.86 142.78 5.88 15 4 "[ . 1** +- 2]"
248 . 1 137 ILE C 1 138 PHE N 1 138 PHE CA 1 138 PHE C -108.69 -108.69 -113.96 -115.12 -112.36 6.43 20 13 "[-**** ** * * . ***+]"
249 . 1 138 PHE N 1 138 PHE CA 1 138 PHE C 1 139 TYR N 140.97 140.97 143.02 143.55 143.45 3.44 5 0 "[ . 1 . 2]"
250 . 1 138 PHE C 1 139 TYR N 1 139 TYR CA 1 139 TYR C -122.35 -122.35 -122.55 -122.69 -122.73 1.07 13 0 "[ . 1 . 2]"
251 . 1 139 TYR N 1 139 TYR CA 1 139 TYR C 1 140 GLU N 147.46 147.46 144.48 144.64 144.39 3.94 19 0 "[ . 1 . 2]"
252 . 1 139 TYR C 1 140 GLU N 1 140 GLU CA 1 140 GLU C -100.04 -100.04 -73.88 -74.79 -73.02 27.02 19 20 [***************-**+*]
253 . 1 140 GLU C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -124.27 -124.27 -115.35 -115.26 -115.29 9.51 11 20 [**********+*****-***]
254 . 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 PRO N 165.27 165.27 153.59 152.84 153.96 12.43 3 20 [**+****************-]
255 . 1 141 LEU C 1 142 PRO N 1 142 PRO CA 1 142 PRO C -58.67 -58.67 -54.42 -54.41 -54.45 4.60 3 0 "[ . 1 . 2]"
256 . 1 142 PRO N 1 142 PRO CA 1 142 PRO C 1 143 ASN N 162.58 162.58 166.94 167.03 166.93 8.03 3 1 "[ + . 1 . 2]"
257 . 1 142 PRO C 1 143 ASN N 1 143 ASN CA 1 143 ASN C 56.11 56.11 59.41 57.93 59.97 3.86 11 0 "[ . 1 . 2]"
258 . 1 143 ASN N 1 143 ASN CA 1 143 ASN C 1 144 TYR N 35.41 35.41 31.29 30.76 32.15 4.65 15 0 "[ . 1 . 2]"
259 . 1 143 ASN C 1 144 TYR N 1 144 TYR CA 1 144 TYR C 57.86 57.86 57.73 57.57 57.51 1.32 3 0 "[ . 1 . 2]"
260 . 1 144 TYR N 1 144 TYR CA 1 144 TYR C 1 145 ARG N 50.29 50.29 51.46 47.64 52.42 2.65 3 0 "[ . 1 . 2]"
261 . 1 144 TYR C 1 145 ARG N 1 145 ARG CA 1 145 ARG C -121.57 -121.57 -124.61 -124.12 -124.44 4.21 15 0 "[ . 1 . 2]"
262 . 1 145 ARG N 1 145 ARG CA 1 145 ARG C 1 146 GLY N 163.76 163.76 163.58 163.14 164.01 0.62 9 0 "[ . 1 . 2]"
263 . 1 145 ARG C 1 146 GLY N 1 146 GLY CA 1 146 GLY C 83.19 83.19 89.65 89.65 89.58 7.20 3 20 [**+**********-******]
264 . 1 146 GLY N 1 146 GLY CA 1 146 GLY C 1 147 ARG N -165.49 -165.49 -165.43 -165.79 -164.95 0.54 9 0 "[ . 1 . 2]"
265 . 1 146 GLY C 1 147 ARG N 1 147 ARG CA 1 147 ARG C -69.88 -69.88 -67.87 -68.20 -67.53 2.35 19 0 "[ . 1 . 2]"
266 . 1 147 ARG N 1 147 ARG CA 1 147 ARG C 1 148 GLN N 136.35 136.35 141.64 142.28 141.97 6.22 3 16 "[**+***** *** *** -*]"
267 . 1 147 ARG C 1 148 GLN N 1 148 GLN CA 1 148 GLN C -121.06 -121.06 -118.30 -118.65 -118.87 3.43 16 0 "[ . 1 . 2]"
268 . 1 148 GLN N 1 148 GLN CA 1 148 GLN C 1 149 TYR N 156.12 156.12 148.69 147.95 149.92 8.17 18 20 [**************-**+**]
269 . 1 148 GLN C 1 149 TYR N 1 149 TYR CA 1 149 TYR C -115.30 -115.30 -128.83 -128.64 -128.68 14.60 18 20 [**************-**+**]
270 . 1 149 TYR N 1 149 TYR CA 1 149 TYR C 1 150 LEU N 131.07 131.07 142.49 142.72 142.54 12.80 18 20 [**************-**+**]
271 . 1 149 TYR C 1 150 LEU N 1 150 LEU CA 1 150 LEU C -107.56 -107.56 -96.43 -98.30 -94.61 12.95 11 20 [**********+******-**]
272 . 1 150 LEU N 1 150 LEU CA 1 150 LEU C 1 151 LEU N 127.59 127.59 121.05 118.14 122.53 9.45 16 20 [***************+*-**]
273 . 1 150 LEU C 1 151 LEU N 1 151 LEU CA 1 151 LEU C -93.25 -93.25 -105.40 -107.06 -104.29 13.81 3 20 [**+**-**************]
274 . 1 151 LEU C 1 152 ASP N 1 152 ASP CA 1 152 ASP C -110.30 -110.30 -109.55 -109.88 -110.21 3.60 15 0 "[ . 1 . 2]"
275 . 1 153 LYS C 1 154 LYS N 1 154 LYS CA 1 154 LYS C -113.32 -113.32 -136.41 -136.74 -137.04 24.76 5 20 [****+*********-*****]
276 . 1 154 LYS C 1 155 GLU N 1 155 GLU CA 1 155 GLU C -108.45 -108.45 -112.43 -113.87 -110.04 5.42 12 3 "[ * . 1 + . - 2]"
277 . 1 155 GLU C 1 156 TYR N 1 156 TYR CA 1 156 TYR C -100.11 -100.11 -100.07 -101.73 -102.44 2.33 1 0 "[ . 1 . 2]"
278 . 1 156 TYR N 1 156 TYR CA 1 156 TYR C 1 157 ARG N 115.22 115.22 115.07 113.42 116.72 1.80 6 0 "[ . 1 . 2]"
279 . 1 156 TYR C 1 157 ARG N 1 157 ARG CA 1 157 ARG C -97.28 -97.28 -93.04 -97.72 -91.46 5.82 7 8 "[* **+ 1- * .** 2]"
280 . 1 157 ARG C 1 158 LYS N 1 158 LYS CA 1 158 LYS C -110.29 -110.29 -125.82 -125.47 -125.56 16.17 6 20 [*-***+**************]
281 . 1 158 LYS N 1 158 LYS CA 1 158 LYS C 1 159 PRO N 157.20 157.20 153.31 153.65 153.53 5.87 12 2 "[ .- 1 + . 2]"
282 . 1 158 LYS C 1 159 PRO N 1 159 PRO CA 1 159 PRO C -58.47 -58.47 -60.53 -62.79 -57.87 4.32 5 0 "[ . 1 . 2]"
283 . 1 159 PRO C 1 160 VAL N 1 160 VAL CA 1 160 VAL C -67.96 -67.96 -60.65 -61.33 -59.68 8.28 12 20 [*-*********+********]
284 . 1 160 VAL N 1 160 VAL CA 1 160 VAL C 1 161 ASP N -25.42 -25.42 -20.94 -20.12 -20.22 5.35 13 6 "[ * ** * + . - 2]"
285 . 1 160 VAL C 1 161 ASP N 1 161 ASP CA 1 161 ASP C -64.82 -64.82 -65.70 -65.57 -65.65 1.98 15 0 "[ . 1 . 2]"
286 . 1 161 ASP N 1 161 ASP CA 1 161 ASP C 1 162 TRP N -15.85 -15.85 -16.01 -16.11 -16.16 0.61 8 0 "[ . 1 . 2]"
287 . 1 161 ASP C 1 162 TRP N 1 162 TRP CA 1 162 TRP C -101.34 -101.34 -95.48 -97.46 -92.97 8.37 3 15 "[*-+ . ****** ** ****]"
288 . 1 162 TRP N 1 162 TRP CA 1 162 TRP C 1 163 GLY N 14.32 14.32 9.75 10.83 9.97 7.78 12 4 "[- * . 1 + * 2]"
289 . 1 162 TRP C 1 163 GLY N 1 163 GLY CA 1 163 GLY C 86.21 86.21 76.76 77.57 77.22 11.42 12 20 [***********+***-****]
290 . 1 163 GLY N 1 163 GLY CA 1 163 GLY C 1 164 ALA N 13.53 13.53 10.54 11.04 10.80 5.35 15 2 "[ . 1 - + 2]"
291 . 1 163 GLY C 1 164 ALA N 1 164 ALA CA 1 164 ALA C -99.74 -99.74 -99.68 -100.42 -99.20 0.68 5 0 "[ . 1 . 2]"
292 . 1 164 ALA N 1 164 ALA CA 1 164 ALA C 1 165 ALA N 146.73 146.73 142.28 141.79 143.32 4.94 4 0 "[ . 1 . 2]"
293 . 1 164 ALA C 1 165 ALA N 1 165 ALA CA 1 165 ALA C -80.90 -80.90 -84.56 -85.36 -84.10 4.46 6 0 "[ . 1 . 2]"
294 . 1 165 ALA N 1 165 ALA CA 1 165 ALA C 1 166 SER N -16.76 -16.76 -8.57 -8.29 -8.33 8.63 17 20 [*****-**********+***]
295 . 1 165 ALA C 1 166 SER N 1 166 SER CA 1 166 SER C -135.46 -135.46 -144.83 -144.53 -144.66 11.78 12 20 [***********+****-***]
296 . 1 166 SER N 1 166 SER CA 1 166 SER C 1 167 PRO N 151.67 151.67 150.76 150.87 150.86 3.07 17 0 "[ . 1 . 2]"
297 . 1 166 SER C 1 167 PRO N 1 167 PRO CA 1 167 PRO C -77.64 -77.64 -75.86 -75.70 -75.80 2.87 17 0 "[ . 1 . 2]"
298 . 1 167 PRO C 1 168 ALA N 1 168 ALA CA 1 168 ALA C -83.21 -83.21 -83.08 -82.28 -82.60 2.06 15 0 "[ . 1 . 2]"
299 . 1 168 ALA N 1 168 ALA CA 1 168 ALA C 1 169 ILE N 140.30 140.30 123.59 121.94 125.56 18.36 4 20 [***+*-**************]
300 . 1 168 ALA C 1 169 ILE N 1 169 ILE CA 1 169 ILE C -148.01 -148.01 -145.75 -143.63 -145.71 5.86 3 3 "[ -+ . 1 * . 2]"
301 . 1 169 ILE N 1 169 ILE CA 1 169 ILE C 1 170 GLN N 133.20 133.20 126.15 124.51 127.82 8.69 14 20 [***********-*+******]
302 . 1 169 ILE C 1 170 GLN N 1 170 GLN CA 1 170 GLN C -100.97 -100.97 -112.25 -114.01 -110.33 13.04 14 20 [****-********+******]
303 . 1 170 GLN C 1 171 SER N 1 171 SER CA 1 171 SER C -153.88 -153.88 -157.60 -157.69 -157.76 4.58 4 0 "[ . 1 . 2]"
304 . 1 171 SER N 1 171 SER CA 1 171 SER C 1 172 PHE N 157.85 157.85 160.48 160.82 160.63 4.12 4 0 "[ . 1 . 2]"
305 . 1 171 SER C 1 172 PHE N 1 172 PHE CA 1 172 PHE C -153.56 -153.56 -152.85 -153.61 -151.55 2.01 9 0 "[ . 1 . 2]"
306 . 1 172 PHE N 1 172 PHE CA 1 172 PHE C 1 173 ARG N 150.30 150.30 154.20 154.55 154.28 4.96 5 0 "[ . 1 . 2]"
307 . 1 172 PHE C 1 173 ARG N 1 173 ARG CA 1 173 ARG C -145.80 -145.80 -144.27 -144.46 -144.51 2.80 4 0 "[ . 1 . 2]"
308 . 1 173 ARG N 1 173 ARG CA 1 173 ARG C 1 174 ARG N 149.95 149.95 151.28 149.81 152.16 2.21 15 0 "[ . 1 . 2]"
309 . 1 173 ARG C 1 174 ARG N 1 174 ARG CA 1 174 ARG C -86.84 -86.84 -87.90 -87.85 -87.93 1.72 9 0 "[ . 1 . 2]"
310 . 1 174 ARG N 1 174 ARG CA 1 174 ARG C 1 175 ILE N 141.16 141.16 142.82 141.82 144.88 3.72 11 0 "[ . 1 . 2]"
311 . 1 174 ARG C 1 175 ILE N 1 175 ILE CA 1 175 ILE C -94.15 -94.15 -93.42 -93.14 -93.20 1.95 20 0 "[ . 1 . 2]"
312 . 1 175 ILE C 1 176 VAL N 1 176 VAL CA 1 176 VAL C -137.01 -137.01 -136.14 -136.81 -135.86 1.15 8 0 "[ . 1 . 2]"
313 . 1 176 VAL N 1 176 VAL CA 1 176 VAL C 1 177 GLU N 147.92 147.92 146.62 146.57 146.52 1.61 10 0 "[ . 1 . 2]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 82
_TA_constraint_stats_list.Viol_count 29
_TA_constraint_stats_list.Viol_total 1056.47
_TA_constraint_stats_list.Viol_max 8.01
_TA_constraint_stats_list.Viol_rms 0.30
_TA_constraint_stats_list.Viol_average_all_restraints 0.03
_TA_constraint_stats_list.Viol_average_violations_only 1.82
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details .
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 2 LYS N 1 2 LYS CA 1 2 LYS CB 1 2 LYS CG -90.00 -30.00 -58.38 -78.07 -43.88 . . 0 "[ . 1 . 2]"
2 . 1 6 LYS N 1 6 LYS CA 1 6 LYS CB 1 6 LYS CG 150.00 -150.00 -171.84 -166.25 -175.35 . . 0 "[ . 1 . 2]"
3 . 1 7 ILE N 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 150.00 -150.00 173.98 171.21 170.93 . . 0 "[ . 1 . 2]"
4 . 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG -90.00 -30.00 -62.74 -61.29 -63.07 . . 0 "[ . 1 . 2]"
5 . 1 13 ARG N 1 13 ARG CA 1 13 ARG CB 1 13 ARG CG -90.00 -30.00 -72.87 -79.61 -65.23 . . 0 "[ . 1 . 2]"
6 . 1 16 GLN N 1 16 GLN CA 1 16 GLN CB 1 16 GLN CG -90.00 -30.00 -78.95 -79.73 -78.02 . . 0 "[ . 1 . 2]"
7 . 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 150.00 -150.00 -168.90 -166.25 -173.93 . . 0 "[ . 1 . 2]"
8 . 1 19 ARG N 1 19 ARG CA 1 19 ARG CB 1 19 ARG CG 150.00 -150.00 -175.93 -171.28 -171.72 . . 0 "[ . 1 . 2]"
9 . 1 30 ARG N 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG -90.00 -30.00 -63.08 -65.34 -67.47 . . 0 "[ . 1 . 2]"
10 . 1 39 ILE N 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 -90.00 -30.00 -47.38 -49.04 -49.72 . . 0 "[ . 1 . 2]"
11 . 1 40 ARG N 1 40 ARG CA 1 40 ARG CB 1 40 ARG CG 150.00 -150.00 -170.27 -165.56 -166.18 . . 0 "[ . 1 . 2]"
12 . 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 150.00 -150.00 -174.00 -172.90 -173.44 . . 0 "[ . 1 . 2]"
13 . 1 48 VAL N 1 48 VAL CA 1 48 VAL CB 1 48 VAL CG1 -90.00 -30.00 -62.14 -65.84 -53.88 . . 0 "[ . 1 . 2]"
14 . 1 50 GLU N 1 50 GLU CA 1 50 GLU CB 1 50 GLU CG 150.00 -150.00 -169.84 176.99 -161.79 . . 0 "[ . 1 . 2]"
15 . 1 60 ILE N 1 60 ILE CA 1 60 ILE CB 1 60 ILE CG1 -90.00 -30.00 -48.19 -77.17 -40.92 . . 0 "[ . 1 . 2]"
16 . 1 65 GLU N 1 65 GLU CA 1 65 GLU CB 1 65 GLU CG 150.00 -150.00 -175.05 177.04 -165.40 . . 0 "[ . 1 . 2]"
17 . 1 68 GLU N 1 68 GLU CA 1 68 GLU CB 1 68 GLU CG -90.00 -30.00 -69.80 -69.54 -69.79 . . 0 "[ . 1 . 2]"
18 . 1 70 GLN N 1 70 GLN CA 1 70 GLN CB 1 70 GLN CG -90.00 -30.00 -57.63 -79.01 -50.45 . . 0 "[ . 1 . 2]"
19 . 1 73 MET N 1 73 MET CA 1 73 MET CB 1 73 MET CG -90.00 -30.00 -45.52 -58.62 -41.95 . . 0 "[ . 1 . 2]"
20 . 1 79 LEU N 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG -90.00 -30.00 -72.20 -81.58 -69.51 . . 0 "[ . 1 . 2]"
21 . 1 83 ARG N 1 83 ARG CA 1 83 ARG CB 1 83 ARG CG -90.00 -30.00 -64.57 -70.02 -59.39 . . 0 "[ . 1 . 2]"
22 . 1 85 VAL N 1 85 VAL CA 1 85 VAL CB 1 85 VAL CG1 150.00 -150.00 -171.49 -172.92 -178.51 . . 0 "[ . 1 . 2]"
23 . 1 87 LEU N 1 87 LEU CA 1 87 LEU CB 1 87 LEU CG -90.00 -30.00 -32.10 -40.22 -21.99 8.01 1 1 "[+ . 1 . 2]"
24 . 1 92 GLN N 1 92 GLN CA 1 92 GLN CB 1 92 GLN CG 150.00 -150.00 -172.77 -167.83 -168.97 . . 0 "[ . 1 . 2]"
25 . 1 94 LYS N 1 94 LYS CA 1 94 LYS CB 1 94 LYS CG 150.00 -150.00 -165.00 -176.40 -155.42 . . 0 "[ . 1 . 2]"
26 . 1 95 ILE N 1 95 ILE CA 1 95 ILE CB 1 95 ILE CG1 150.00 -150.00 161.69 159.56 164.15 . . 0 "[ . 1 . 2]"
27 . 1 96 GLN N 1 96 GLN CA 1 96 GLN CB 1 96 GLN CG 30.00 90.00 39.95 37.38 36.27 . . 0 "[ . 1 . 2]"
28 . 1 97 VAL N 1 97 VAL CA 1 97 VAL CB 1 97 VAL CG1 -90.00 -30.00 -55.46 -54.08 -54.31 . . 0 "[ . 1 . 2]"
29 . 1 99 GLU N 1 99 GLU CA 1 99 GLU CB 1 99 GLU CG 150.00 -150.00 -173.26 -174.37 -175.17 . . 0 "[ . 1 . 2]"
30 . 1 100 LYS N 1 100 LYS CA 1 100 LYS CB 1 100 LYS CG -90.00 -30.00 -59.42 -55.95 -55.99 1.19 16 0 "[ . 1 . 2]"
31 . 1 106 GLN N 1 106 GLN CA 1 106 GLN CB 1 106 GLN CG 150.00 -150.00 -170.00 -174.71 -175.32 . . 0 "[ . 1 . 2]"
32 . 1 107 MET N 1 107 MET CA 1 107 MET CB 1 107 MET CG 150.00 -150.00 177.52 169.16 -169.61 . . 0 "[ . 1 . 2]"
33 . 1 109 GLU N 1 109 GLU CA 1 109 GLU CB 1 109 GLU CG 150.00 -150.00 -172.38 177.46 -162.92 . . 0 "[ . 1 . 2]"
34 . 1 111 THR N 1 111 THR CA 1 111 THR CB 1 111 THR OG1 30.00 90.00 55.50 45.69 85.84 . . 0 "[ . 1 . 2]"
35 . 1 112 GLU N 1 112 GLU CA 1 112 GLU CB 1 112 GLU CG -90.00 -30.00 -61.74 -72.72 -46.58 . . 0 "[ . 1 . 2]"
36 . 1 117 ILE N 1 117 ILE CA 1 117 ILE CB 1 117 ILE CG1 -90.00 -30.00 -63.96 -68.21 -60.60 . . 0 "[ . 1 . 2]"
37 . 1 118 MET N 1 118 MET CA 1 118 MET CB 1 118 MET CG 150.00 -150.00 -170.99 177.36 -166.14 . . 0 "[ . 1 . 2]"
38 . 1 120 GLN N 1 120 GLN CA 1 120 GLN CB 1 120 GLN CG 150.00 -150.00 -170.30 178.16 -152.65 . . 0 "[ . 1 . 2]"
39 . 1 123 LEU N 1 123 LEU CA 1 123 LEU CB 1 123 LEU CG -90.00 -30.00 -88.51 -92.85 -93.44 3.44 1 0 "[ . 1 . 2]"
40 . 1 125 GLU N 1 125 GLU CA 1 125 GLU CB 1 125 GLU CG -90.00 -30.00 -63.34 -59.49 -60.29 . . 0 "[ . 1 . 2]"
41 . 1 126 ILE N 1 126 ILE CA 1 126 ILE CB 1 126 ILE CG1 -90.00 -30.00 -73.33 -76.40 -54.84 . . 0 "[ . 1 . 2]"
42 . 1 132 VAL N 1 132 VAL CA 1 132 VAL CB 1 132 VAL CG1 150.00 -150.00 -170.99 -169.01 -170.02 . . 0 "[ . 1 . 2]"
43 . 1 137 ILE N 1 137 ILE CA 1 137 ILE CB 1 137 ILE CG1 -90.00 -30.00 -53.55 -55.89 -51.79 . . 0 "[ . 1 . 2]"
44 . 1 140 GLU N 1 140 GLU CA 1 140 GLU CB 1 140 GLU CG 150.00 -150.00 -169.80 -176.97 -160.18 . . 0 "[ . 1 . 2]"
45 . 1 145 ARG N 1 145 ARG CA 1 145 ARG CB 1 145 ARG CG -90.00 -30.00 -61.68 -50.01 -55.91 . . 0 "[ . 1 . 2]"
46 . 1 147 ARG N 1 147 ARG CA 1 147 ARG CB 1 147 ARG CG 150.00 -150.00 -174.75 -167.82 -171.74 . . 0 "[ . 1 . 2]"
47 . 1 148 GLN N 1 148 GLN CA 1 148 GLN CB 1 148 GLN CG -90.00 -30.00 -32.01 -35.06 -29.57 0.43 10 0 "[ . 1 . 2]"
48 . 1 160 VAL N 1 160 VAL CA 1 160 VAL CB 1 160 VAL CG1 150.00 -150.00 -176.39 175.11 -167.00 . . 0 "[ . 1 . 2]"
49 . 1 169 ILE N 1 169 ILE CA 1 169 ILE CB 1 169 ILE CG1 -90.00 -30.00 -54.67 -47.39 -54.01 . . 0 "[ . 1 . 2]"
50 . 1 170 GLN N 1 170 GLN CA 1 170 GLN CB 1 170 GLN CG -90.00 -30.00 -63.45 -76.14 -58.31 . . 0 "[ . 1 . 2]"
51 . 1 173 ARG N 1 173 ARG CA 1 173 ARG CB 1 173 ARG CG -90.00 -30.00 -66.19 -84.13 -46.37 . . 0 "[ . 1 . 2]"
52 . 1 175 ILE N 1 175 ILE CA 1 175 ILE CB 1 175 ILE CG1 -90.00 -30.00 -47.96 -48.85 -49.84 . . 0 "[ . 1 . 2]"
53 . 1 9 PHE N 1 9 PHE CA 1 9 PHE CB 1 9 PHE CG -90.00 -30.00 -42.41 -57.16 -38.71 . . 0 "[ . 1 . 2]"
54 . 1 10 TYR N 1 10 TYR CA 1 10 TYR CB 1 10 TYR CG -90.00 -30.00 -46.26 -49.67 -42.76 . . 0 "[ . 1 . 2]"
55 . 1 20 TYR N 1 20 TYR CA 1 20 TYR CB 1 20 TYR CG 150.00 -150.00 -161.57 -158.60 -159.26 2.28 3 0 "[ . 1 . 2]"
56 . 1 32 TYR N 1 32 TYR CA 1 32 TYR CB 1 32 TYR CG -90.00 -30.00 -67.72 -79.21 -49.89 . . 0 "[ . 1 . 2]"
57 . 1 46 TRP N 1 46 TRP CA 1 46 TRP CB 1 46 TRP CG -90.00 -30.00 -62.82 -65.60 -58.42 . . 0 "[ . 1 . 2]"
58 . 1 49 TYR N 1 49 TYR CA 1 49 TYR CB 1 49 TYR CG -90.00 -30.00 -67.14 -73.73 -59.66 . . 0 "[ . 1 . 2]"
59 . 1 54 PHE N 1 54 PHE CA 1 54 PHE CB 1 54 PHE CG -90.00 -30.00 -37.26 -36.63 -36.96 . . 0 "[ . 1 . 2]"
60 . 1 59 TYR N 1 59 TYR CA 1 59 TYR CB 1 59 TYR CG -90.00 -30.00 -69.15 -67.25 -67.87 . . 0 "[ . 1 . 2]"
61 . 1 86 HIS N 1 86 HIS CA 1 86 HIS CB 1 86 HIS CG -90.00 -30.00 -59.84 -73.28 -48.63 . . 0 "[ . 1 . 2]"
62 . 1 98 PHE N 1 98 PHE CA 1 98 PHE CB 1 98 PHE CG -90.00 -30.00 -69.31 -86.85 -63.26 . . 0 "[ . 1 . 2]"
63 . 1 103 PHE N 1 103 PHE CA 1 103 PHE CB 1 103 PHE CG -90.00 -30.00 -44.54 -45.25 -45.64 . . 0 "[ . 1 . 2]"
64 . 1 108 TYR N 1 108 TYR CA 1 108 TYR CB 1 108 TYR CG -90.00 -30.00 -75.72 -76.79 -74.22 . . 0 "[ . 1 . 2]"
65 . 1 121 PHE N 1 121 PHE CA 1 121 PHE CB 1 121 PHE CG -90.00 -30.00 -56.72 -54.63 -56.97 . . 0 "[ . 1 . 2]"
66 . 1 122 HIS N 1 122 HIS CA 1 122 HIS CB 1 122 HIS CG -90.00 -30.00 -38.87 -38.63 -38.78 . . 0 "[ . 1 . 2]"
67 . 1 136 TRP N 1 136 TRP CA 1 136 TRP CB 1 136 TRP CG -90.00 -30.00 -74.34 -77.83 -70.10 . . 0 "[ . 1 . 2]"
68 . 1 139 TYR N 1 139 TYR CA 1 139 TYR CB 1 139 TYR CG -90.00 -30.00 -50.02 -51.47 -54.48 . . 0 "[ . 1 . 2]"
69 . 1 144 TYR N 1 144 TYR CA 1 144 TYR CB 1 144 TYR CG -90.00 -30.00 -32.15 -34.79 -29.35 0.65 6 0 "[ . 1 . 2]"
70 . 1 156 TYR N 1 156 TYR CA 1 156 TYR CB 1 156 TYR CG -90.00 -30.00 -60.43 -59.47 -59.89 . . 0 "[ . 1 . 2]"
71 . 1 172 PHE N 1 172 PHE CA 1 172 PHE CB 1 172 PHE CG 30.00 90.00 49.90 44.94 59.10 . . 0 "[ . 1 . 2]"
72 . 1 7 ILE CA 1 7 ILE CB 1 7 ILE CG1 1 7 ILE CD1 150.00 -150.00 169.00 165.39 170.54 . . 0 "[ . 1 . 2]"
73 . 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 1 39 ILE CD1 150.00 -150.00 -174.42 173.61 -172.30 . . 0 "[ . 1 . 2]"
74 . 1 61 LEU CA 1 61 LEU CB 1 61 LEU CG 1 61 LEU CD1 120.00 -120.00 168.71 172.46 165.98 . . 0 "[ . 1 . 2]"
75 . 1 79 LEU CA 1 79 LEU CB 1 79 LEU CG 1 79 LEU CD1 150.00 -150.00 176.86 178.59 175.65 . . 0 "[ . 1 . 2]"
76 . 1 87 LEU CA 1 87 LEU CB 1 87 LEU CG 1 87 LEU CD1 120.00 -120.00 -176.66 -177.88 178.25 . . 0 "[ . 1 . 2]"
77 . 1 95 ILE CA 1 95 ILE CB 1 95 ILE CG1 1 95 ILE CD1 150.00 -150.00 165.88 160.44 169.15 . . 0 "[ . 1 . 2]"
78 . 1 117 ILE CA 1 117 ILE CB 1 117 ILE CG1 1 117 ILE CD1 120.00 -120.00 167.03 168.84 168.67 . . 0 "[ . 1 . 2]"
79 . 1 123 LEU CA 1 123 LEU CB 1 123 LEU CG 1 123 LEU CD1 120.00 -120.00 159.85 158.47 158.24 . . 0 "[ . 1 . 2]"
80 . 1 137 ILE CA 1 137 ILE CB 1 137 ILE CG1 1 137 ILE CD1 120.00 -120.00 -175.32 176.18 -171.25 . . 0 "[ . 1 . 2]"
81 . 1 141 LEU CA 1 141 LEU CB 1 141 LEU CG 1 141 LEU CD1 120.00 -120.00 157.08 156.54 157.64 . . 0 "[ . 1 . 2]"
82 . 1 175 ILE CA 1 175 ILE CB 1 175 ILE CG1 1 175 ILE CD1 120.00 -120.00 -173.89 -175.56 -170.93 . . 0 "[ . 1 . 2]"
stop_
save_
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