NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585141 |
2mbz   |
19421 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mbz
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 256
_TA_constraint_stats_list.Viol_count 796
_TA_constraint_stats_list.Viol_total 7018.47
_TA_constraint_stats_list.Viol_max 4.79
_TA_constraint_stats_list.Viol_rms 0.64
_TA_constraint_stats_list.Viol_average_all_restraints 0.27
_TA_constraint_stats_list.Viol_average_violations_only 0.88
_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 3 ILE C 1 4 ASN N 1 4 ASN CA 1 4 ASN C 32.00 106.40 42.37 43.47 40.13 2.58 7 0 "[ . 1]"
2 . 1 4 ASN N 1 4 ASN CA 1 4 ASN C 1 5 LEU N -25.00 89.00 59.61 19.30 74.18 . . 0 "[ . 1]"
3 . 1 5 LEU C 1 6 THR N 1 6 THR CA 1 6 THR C -148.90 -26.10 -88.31 -88.99 -90.93 . . 0 "[ . 1]"
4 . 1 6 THR N 1 6 THR CA 1 6 THR C 1 7 PRO N 87.30 -148.70 148.52 151.63 151.49 . . 0 "[ . 1]"
5 . 1 6 THR C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -63.00 -40.60 -45.31 -47.51 -47.77 1.02 4 0 "[ . 1]"
6 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 GLU N -48.30 -24.70 -37.42 -48.40 -33.81 0.10 9 0 "[ . 1]"
7 . 1 7 PRO C 1 8 GLU N 1 8 GLU CA 1 8 GLU C -71.40 -56.20 -70.77 -71.53 -71.74 1.82 8 0 "[ . 1]"
8 . 1 8 GLU N 1 8 GLU CA 1 8 GLU C 1 9 GLU N -50.80 -20.40 -38.48 -44.52 -33.28 . . 0 "[ . 1]"
9 . 1 8 GLU C 1 9 GLU N 1 9 GLU CA 1 9 GLU C -71.60 -57.60 -67.38 -67.74 -68.80 1.18 8 0 "[ . 1]"
10 . 1 9 GLU N 1 9 GLU CA 1 9 GLU C 1 10 LYS N -55.80 -34.60 -48.82 -48.58 -48.63 0.39 8 0 "[ . 1]"
11 . 1 9 GLU C 1 10 LYS N 1 10 LYS CA 1 10 LYS C -69.00 -52.20 -55.59 -50.95 -51.59 1.25 2 0 "[ . 1]"
12 . 1 10 LYS N 1 10 LYS CA 1 10 LYS C 1 11 PHE N -48.40 -28.80 -30.70 -31.26 -32.49 1.48 8 0 "[ . 1]"
13 . 1 10 LYS C 1 11 PHE N 1 11 PHE CA 1 11 PHE C -75.50 -54.70 -75.10 -76.18 -76.23 0.91 7 0 "[ . 1]"
14 . 1 11 PHE N 1 11 PHE CA 1 11 PHE C 1 12 GLU N -60.60 -23.40 -45.61 -43.96 -44.55 . . 0 "[ . 1]"
15 . 1 11 PHE C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -81.50 -50.70 -71.94 -74.89 -70.15 . . 0 "[ . 1]"
16 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 VAL N -57.30 -22.10 -20.31 -19.72 -20.32 2.89 8 0 "[ . 1]"
17 . 1 12 GLU C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -109.40 -45.40 -98.13 -99.99 -101.50 . . 0 "[ . 1]"
18 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 PHE N -65.10 -14.70 -60.14 -64.71 -54.56 . . 0 "[ . 1]"
19 . 1 13 VAL C 1 14 PHE N 1 14 PHE CA 1 14 PHE C -137.60 -70.80 -93.31 -92.05 -92.59 . . 0 "[ . 1]"
20 . 1 14 PHE N 1 14 PHE CA 1 14 PHE C 1 15 GLY N -28.40 4.40 -10.55 -29.23 4.64 0.83 8 0 "[ . 1]"
21 . 1 15 GLY C 1 16 ASP N 1 16 ASP CA 1 16 ASP C 175.10 15.10 -88.77 15.42 -84.22 0.78 6 0 "[ . 1]"
22 . 1 16 ASP N 1 16 ASP CA 1 16 ASP C 1 17 PHE N 58.00 -162.00 56.06 54.46 57.32 3.54 5 0 "[ . 1]"
23 . 1 16 ASP C 1 17 PHE N 1 17 PHE CA 1 17 PHE C 144.40 36.00 -140.56 -158.45 -124.96 . . 0 "[ . 1]"
24 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 ASP N 93.90 167.10 107.52 93.42 127.14 0.48 6 0 "[ . 1]"
25 . 1 17 PHE C 1 18 ASP N 1 18 ASP CA 1 18 ASP C -144.70 -28.30 -100.33 -105.00 -105.30 . . 0 "[ . 1]"
26 . 1 18 ASP N 1 18 ASP CA 1 18 ASP C 1 19 PRO N 88.90 150.50 100.41 111.50 98.44 1.46 9 0 "[ . 1]"
27 . 1 18 ASP C 1 19 PRO N 1 19 PRO CA 1 19 PRO C -67.60 -44.80 -64.09 -68.54 -69.25 1.97 1 0 "[ . 1]"
28 . 1 19 PRO N 1 19 PRO CA 1 19 PRO C 1 20 ASP N -45.00 -21.00 -36.47 -20.53 -32.36 1.38 2 0 "[ . 1]"
29 . 1 19 PRO C 1 20 ASP N 1 20 ASP CA 1 20 ASP C -93.40 -46.60 -49.18 -45.14 -46.29 1.46 2 0 "[ . 1]"
30 . 1 20 ASP N 1 20 ASP CA 1 20 ASP C 1 21 GLN N -51.90 -7.90 -24.18 -27.34 -35.92 0.46 7 0 "[ . 1]"
31 . 1 20 ASP C 1 21 GLN N 1 21 GLN CA 1 21 GLN C -90.20 -46.20 -62.70 -79.58 -48.08 . . 0 "[ . 1]"
32 . 1 21 GLN N 1 21 GLN CA 1 21 GLN C 1 22 TYR N -52.50 -6.10 -37.54 -52.95 -20.95 0.45 6 0 "[ . 1]"
33 . 1 21 GLN C 1 22 TYR N 1 22 TYR CA 1 22 TYR C -145.60 -61.60 -127.21 -146.73 -76.28 1.13 6 0 "[ . 1]"
34 . 1 22 TYR N 1 22 TYR CA 1 22 TYR C 1 23 GLU N -45.30 38.30 23.76 20.45 11.46 3.15 10 0 "[ . 1]"
35 . 1 22 TYR C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -66.20 -45.80 -53.09 -70.11 -44.42 3.91 10 0 "[ . 1]"
36 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 GLU N -65.50 -22.70 -60.68 -67.03 -28.42 1.53 10 0 "[ . 1]"
37 . 1 23 GLU C 1 24 GLU N 1 24 GLU CA 1 24 GLU C -78.90 -55.30 -72.88 -81.06 -53.74 2.16 2 0 "[ . 1]"
38 . 1 24 GLU N 1 24 GLU CA 1 24 GLU C 1 25 GLU N -46.20 -21.40 -32.33 -46.85 -20.92 0.65 9 0 "[ . 1]"
39 . 1 24 GLU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -80.70 -53.50 -61.63 -80.82 -52.34 1.16 8 0 "[ . 1]"
40 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 VAL N -46.60 -28.60 -29.78 -46.64 -25.92 2.68 7 0 "[ . 1]"
41 . 1 25 GLU C 1 26 VAL N 1 26 VAL CA 1 26 VAL C -81.50 -57.10 -59.41 -81.48 -54.81 2.29 7 0 "[ . 1]"
42 . 1 26 VAL N 1 26 VAL CA 1 26 VAL C 1 27 ARG N -55.90 -27.90 -50.30 -58.55 -59.52 3.62 1 0 "[ . 1]"
43 . 1 26 VAL C 1 27 ARG N 1 27 ARG CA 1 27 ARG C -73.10 -50.70 -54.46 -77.24 -46.34 4.36 7 0 "[ . 1]"
44 . 1 27 ARG N 1 27 ARG CA 1 27 ARG C 1 28 GLU N -50.80 -28.80 -36.50 -49.59 -25.79 3.01 8 0 "[ . 1]"
45 . 1 27 ARG C 1 28 GLU N 1 28 GLU CA 1 28 GLU C -73.80 -59.00 -63.86 -74.47 -55.76 3.24 8 0 "[ . 1]"
46 . 1 28 GLU N 1 28 GLU CA 1 28 GLU C 1 29 ARG N -52.00 -32.00 -33.05 -31.97 -32.59 0.90 7 0 "[ . 1]"
47 . 1 28 GLU C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -81.40 -54.60 -71.11 -81.51 -53.33 1.27 9 0 "[ . 1]"
48 . 1 29 ARG N 1 29 ARG CA 1 29 ARG C 1 30 TRP N -61.10 19.70 -52.01 -53.87 -58.20 0.56 7 0 "[ . 1]"
49 . 1 29 ARG C 1 30 TRP N 1 30 TRP CA 1 30 TRP C -137.70 -57.70 -99.28 -83.24 -113.22 0.39 9 0 "[ . 1]"
50 . 1 30 TRP N 1 30 TRP CA 1 30 TRP C 1 31 GLY N -43.60 36.40 -45.35 -47.76 -43.85 4.16 10 0 "[ . 1]"
51 . 1 30 TRP C 1 31 GLY N 1 31 GLY CA 1 31 GLY C 35.20 115.20 41.11 61.21 48.80 3.40 10 0 "[ . 1]"
52 . 1 31 GLY N 1 31 GLY CA 1 31 GLY C 1 32 ASN N -21.70 58.30 25.93 -12.16 55.45 . . 0 "[ . 1]"
53 . 1 31 GLY C 1 32 ASN N 1 32 ASN CA 1 32 ASN C -129.30 -49.30 -125.58 -96.77 -124.47 0.90 1 0 "[ . 1]"
54 . 1 32 ASN N 1 32 ASN CA 1 32 ASN C 1 33 THR N -56.90 23.10 -4.95 -19.50 9.81 . . 0 "[ . 1]"
55 . 1 32 ASN C 1 33 THR N 1 33 THR CA 1 33 THR C -175.60 -86.00 -83.47 -84.71 -81.90 4.10 1 0 "[ . 1]"
56 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 ASP N 118.30 -161.70 131.38 117.15 159.13 1.15 2 0 "[ . 1]"
57 . 1 33 THR C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -104.60 -24.60 -95.53 -106.32 -67.66 1.72 2 0 "[ . 1]"
58 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 ALA N -76.00 4.00 -37.78 -36.87 -37.19 . . 0 "[ . 1]"
59 . 1 34 ASP C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -72.20 -54.20 -54.03 -54.31 -55.63 1.31 10 0 "[ . 1]"
60 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 TYR N -48.20 -37.00 -41.92 -41.31 -46.62 4.79 8 0 "[ . 1]"
61 . 1 35 ALA C 1 36 TYR N 1 36 TYR CA 1 36 TYR C -77.30 -50.50 -48.31 -47.68 -47.93 3.57 8 0 "[ . 1]"
62 . 1 36 TYR N 1 36 TYR CA 1 36 TYR C 1 37 ARG N -54.50 -28.90 -30.36 -36.74 -28.39 0.51 1 0 "[ . 1]"
63 . 1 36 TYR C 1 37 ARG N 1 37 ARG CA 1 37 ARG C -70.60 -49.80 -67.93 -71.62 -60.83 1.02 8 0 "[ . 1]"
64 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 GLN N -56.20 -31.00 -48.32 -42.98 -44.00 0.19 3 0 "[ . 1]"
65 . 1 37 ARG C 1 38 GLN N 1 38 GLN CA 1 38 GLN C -72.70 -50.70 -64.94 -66.45 -67.93 0.15 8 0 "[ . 1]"
66 . 1 38 GLN N 1 38 GLN CA 1 38 GLN C 1 39 SER N -54.50 -30.10 -31.62 -40.28 -28.83 1.27 5 0 "[ . 1]"
67 . 1 38 GLN C 1 39 SER N 1 39 SER CA 1 39 SER C -76.00 -51.60 -72.08 -70.57 -72.06 0.33 6 0 "[ . 1]"
68 . 1 39 SER N 1 39 SER CA 1 39 SER C 1 40 LYS N -51.20 -30.80 -51.87 -53.10 -48.21 1.90 5 0 "[ . 1]"
69 . 1 39 SER C 1 40 LYS N 1 40 LYS CA 1 40 LYS C -74.50 -53.30 -55.46 -58.88 -52.17 1.13 6 0 "[ . 1]"
70 . 1 40 LYS N 1 40 LYS CA 1 40 LYS C 1 41 GLU N -55.70 -9.30 -38.51 -33.25 -39.64 . . 0 "[ . 1]"
71 . 1 40 LYS C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -79.70 -52.10 -62.07 -66.62 -55.37 . . 0 "[ . 1]"
72 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LYS N -53.70 -9.30 -41.57 -51.33 -33.31 . . 0 "[ . 1]"
73 . 1 41 GLU C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -84.70 -49.90 -82.92 -86.36 -78.50 1.66 10 0 "[ . 1]"
74 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 THR N -55.60 -27.20 -32.04 -27.42 -29.51 0.85 4 0 "[ . 1]"
75 . 1 42 LYS C 1 43 THR N 1 43 THR CA 1 43 THR C -87.20 -49.60 -80.11 -82.41 -86.24 0.29 1 0 "[ . 1]"
76 . 1 43 THR N 1 43 THR CA 1 43 THR C 1 44 ALA N -58.40 3.20 4.00 4.39 4.27 1.85 4 0 "[ . 1]"
77 . 1 43 THR C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -85.30 -49.30 -54.77 -51.87 -53.93 0.63 4 0 "[ . 1]"
78 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 SER N -54.50 -20.50 -37.09 -39.60 -40.33 1.67 7 0 "[ . 1]"
79 . 1 44 ALA C 1 45 SER N 1 45 SER CA 1 45 SER C -115.40 -61.00 -112.66 -115.86 -102.67 0.46 10 0 "[ . 1]"
80 . 1 45 SER N 1 45 SER CA 1 45 SER C 1 46 TYR N -33.90 13.30 1.66 -12.33 13.77 0.47 6 0 "[ . 1]"
81 . 1 46 TYR C 1 47 THR N 1 47 THR CA 1 47 THR C -151.60 -49.60 -108.97 -109.04 -109.18 . . 0 "[ . 1]"
82 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 LYS N 146.60 -176.60 179.25 176.64 174.67 1.14 9 0 "[ . 1]"
83 . 1 47 THR C 1 48 LYS N 1 48 LYS CA 1 48 LYS C -66.90 -51.70 -58.79 -63.77 -54.60 . . 0 "[ . 1]"
84 . 1 48 LYS N 1 48 LYS CA 1 48 LYS C 1 49 GLU N -49.60 -34.00 -34.45 -33.97 -34.36 0.85 8 0 "[ . 1]"
85 . 1 48 LYS C 1 49 GLU N 1 49 GLU CA 1 49 GLU C -66.70 -54.70 -64.39 -67.21 -59.23 0.51 7 0 "[ . 1]"
86 . 1 49 GLU N 1 49 GLU CA 1 49 GLU C 1 50 ASP N -49.50 -32.30 -51.59 -50.63 -51.23 3.82 5 0 "[ . 1]"
87 . 1 49 GLU C 1 50 ASP N 1 50 ASP CA 1 50 ASP C -72.90 -58.90 -58.34 -57.87 -58.54 1.70 10 0 "[ . 1]"
88 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 TRP N -56.00 -28.00 -33.64 -36.05 -38.71 0.43 8 0 "[ . 1]"
89 . 1 50 ASP C 1 51 TRP N 1 51 TRP CA 1 51 TRP C -82.60 -54.60 -76.35 -82.74 -71.96 0.14 8 0 "[ . 1]"
90 . 1 51 TRP N 1 51 TRP CA 1 51 TRP C 1 52 GLN N -53.10 -24.30 -43.17 -53.58 -36.42 0.48 9 0 "[ . 1]"
91 . 1 51 TRP C 1 52 GLN N 1 52 GLN CA 1 52 GLN C -74.80 -54.40 -64.50 -65.79 -70.55 . . 0 "[ . 1]"
92 . 1 52 GLN N 1 52 GLN CA 1 52 GLN C 1 53 ARG N -55.20 -22.40 -32.59 -37.28 -26.18 . . 0 "[ . 1]"
93 . 1 52 GLN C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -69.90 -54.30 -65.52 -70.22 -54.33 0.32 4 0 "[ . 1]"
94 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 ILE N -57.90 -36.70 -40.71 -50.91 -36.39 0.31 1 0 "[ . 1]"
95 . 1 53 ARG C 1 54 ILE N 1 54 ILE CA 1 54 ILE C -73.80 -56.20 -64.36 -62.94 -71.57 0.85 4 0 "[ . 1]"
96 . 1 54 ILE N 1 54 ILE CA 1 54 ILE C 1 55 GLN N -58.30 -26.70 -37.18 -33.19 -34.38 0.18 4 0 "[ . 1]"
97 . 1 54 ILE C 1 55 GLN N 1 55 GLN CA 1 55 GLN C -78.40 -40.40 -67.04 -71.84 -53.97 . . 0 "[ . 1]"
98 . 1 55 GLN N 1 55 GLN CA 1 55 GLN C 1 56 ASP N -58.00 -30.80 -49.55 -47.75 -50.44 . . 0 "[ . 1]"
99 . 1 55 GLN C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -79.30 -55.30 -55.11 -53.35 -54.48 1.95 2 0 "[ . 1]"
100 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 GLU N -46.30 -28.70 -31.21 -44.72 -27.43 1.27 8 0 "[ . 1]"
101 . 1 56 ASP C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -77.10 -54.70 -71.97 -69.59 -72.54 . . 0 "[ . 1]"
102 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ALA N -54.10 -28.90 -40.60 -39.14 -40.36 . . 0 "[ . 1]"
103 . 1 57 GLU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -79.50 -50.70 -70.10 -76.87 -63.03 . . 0 "[ . 1]"
104 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ASP N -49.70 -23.30 -37.79 -25.01 -34.98 0.48 7 0 "[ . 1]"
105 . 1 58 ALA C 1 59 ASP N 1 59 ASP CA 1 59 ASP C -82.60 -55.40 -59.42 -75.27 -54.93 0.47 7 0 "[ . 1]"
106 . 1 59 ASP N 1 59 ASP CA 1 59 ASP C 1 60 GLU N -55.20 -24.40 -44.75 -56.46 -36.47 1.26 2 0 "[ . 1]"
107 . 1 59 ASP C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -75.40 -52.60 -61.09 -67.79 -54.25 . . 0 "[ . 1]"
108 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 LEU N -46.90 -34.90 -38.29 -35.27 -39.42 0.37 5 0 "[ . 1]"
109 . 1 60 GLU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C -77.40 -53.80 -55.80 -53.77 -55.01 0.84 7 0 "[ . 1]"
110 . 1 61 LEU N 1 61 LEU CA 1 61 LEU C 1 62 THR N -51.90 -16.70 -40.32 -51.93 -33.02 0.03 2 0 "[ . 1]"
111 . 1 61 LEU C 1 62 THR N 1 62 THR CA 1 62 THR C -73.00 -58.20 -64.09 -62.23 -64.37 1.98 6 0 "[ . 1]"
112 . 1 62 THR N 1 62 THR CA 1 62 THR C 1 63 ARG N -53.40 -32.60 -50.40 -54.96 -44.83 1.56 5 0 "[ . 1]"
113 . 1 62 THR C 1 63 ARG N 1 63 ARG CA 1 63 ARG C -73.60 -52.00 -50.73 -51.95 -49.85 2.15 9 0 "[ . 1]"
114 . 1 63 ARG N 1 63 ARG CA 1 63 ARG C 1 64 ARG N -52.10 -31.30 -51.23 -48.78 -52.11 0.91 4 0 "[ . 1]"
115 . 1 63 ARG C 1 64 ARG N 1 64 ARG CA 1 64 ARG C -73.60 -52.00 -65.63 -71.22 -61.48 . . 0 "[ . 1]"
116 . 1 64 ARG N 1 64 ARG CA 1 64 ARG C 1 65 PHE N -52.70 -41.10 -54.57 -54.47 -54.76 3.62 10 0 "[ . 1]"
117 . 1 64 ARG C 1 65 PHE N 1 65 PHE CA 1 65 PHE C -69.50 -54.70 -55.07 -56.57 -53.88 0.82 1 0 "[ . 1]"
118 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 VAL N -57.40 -37.40 -53.07 -54.55 -57.10 0.32 10 0 "[ . 1]"
119 . 1 65 PHE C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -65.30 -56.10 -61.02 -66.90 -55.79 1.60 6 0 "[ . 1]"
120 . 1 66 VAL N 1 66 VAL CA 1 66 VAL C 1 67 ALA N -52.50 -29.30 -46.28 -47.94 -44.28 . . 0 "[ . 1]"
121 . 1 66 VAL C 1 67 ALA N 1 67 ALA CA 1 67 ALA C -72.60 -52.20 -55.68 -55.61 -55.70 0.36 4 0 "[ . 1]"
122 . 1 67 ALA N 1 67 ALA CA 1 67 ALA C 1 68 LEU N -51.80 -25.40 -40.61 -36.94 -39.10 . . 0 "[ . 1]"
123 . 1 67 ALA C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -71.00 -55.40 -64.66 -71.32 -55.12 0.32 7 0 "[ . 1]"
124 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 MET N -51.30 -36.90 -41.91 -42.12 -42.45 . . 0 "[ . 1]"
125 . 1 68 LEU C 1 69 MET N 1 69 MET CA 1 69 MET C -71.20 -56.80 -57.25 -57.48 -58.06 1.16 6 0 "[ . 1]"
126 . 1 69 MET N 1 69 MET CA 1 69 MET C 1 70 ASP N -45.80 -32.20 -45.28 -46.53 -46.81 1.33 9 0 "[ . 1]"
127 . 1 69 MET C 1 70 ASP N 1 70 ASP CA 1 70 ASP C -72.50 -54.50 -62.82 -72.88 -53.98 0.52 4 0 "[ . 1]"
128 . 1 70 ASP N 1 70 ASP CA 1 70 ASP C 1 71 ALA N -43.80 -9.40 -35.83 -36.08 -44.36 1.53 4 0 "[ . 1]"
129 . 1 70 ASP C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -108.20 -61.40 -66.34 -76.31 -59.49 1.91 6 0 "[ . 1]"
130 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 GLY N -19.60 16.00 -13.56 -6.25 -9.60 2.11 10 0 "[ . 1]"
131 . 1 71 ALA C 1 72 GLY N 1 72 GLY CA 1 72 GLY C 56.80 116.00 81.83 84.32 82.43 . . 0 "[ . 1]"
132 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 GLU N -12.10 38.30 23.38 11.83 33.65 . . 0 "[ . 1]"
133 . 1 72 GLY C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -131.50 -59.10 -88.27 -77.98 -92.93 . . 0 "[ . 1]"
134 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 PRO N 83.70 176.50 128.50 112.14 143.75 . . 0 "[ . 1]"
135 . 1 73 GLU C 1 74 PRO N 1 74 PRO CA 1 74 PRO C -75.20 -48.80 -57.94 -57.86 -60.40 . . 0 "[ . 1]"
136 . 1 74 PRO N 1 74 PRO CA 1 74 PRO C 1 75 ALA N 129.80 159.80 155.17 156.04 154.01 . . 0 "[ . 1]"
137 . 1 74 PRO C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -78.00 -48.00 -69.49 -74.33 -65.57 . . 0 "[ . 1]"
138 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 ASP N -45.90 -14.70 -17.60 -17.99 -20.88 0.60 3 0 "[ . 1]"
139 . 1 76 ASP C 1 77 SER N 1 77 SER CA 1 77 SER C -136.60 -41.00 -77.22 -80.08 -75.56 . . 0 "[ . 1]"
140 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 GLU N 123.50 -167.30 160.83 161.16 159.36 . . 0 "[ . 1]"
141 . 1 77 SER C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -66.00 -50.00 -49.60 -50.07 -48.75 1.25 10 0 "[ . 1]"
142 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 GLY N -55.90 -24.30 -56.04 -56.46 -54.69 0.56 4 0 "[ . 1]"
143 . 1 78 GLU C 1 79 GLY N 1 79 GLY CA 1 79 GLY C -72.80 -57.60 -58.97 -61.51 -57.35 0.25 10 0 "[ . 1]"
144 . 1 79 GLY N 1 79 GLY CA 1 79 GLY C 1 80 ALA N -49.90 -26.70 -41.72 -42.99 -40.63 . . 0 "[ . 1]"
145 . 1 79 GLY C 1 80 ALA N 1 80 ALA CA 1 80 ALA C -71.60 -58.00 -70.91 -70.77 -71.13 0.37 10 0 "[ . 1]"
146 . 1 80 ALA N 1 80 ALA CA 1 80 ALA C 1 81 MET N -51.10 -35.10 -50.82 -52.07 -42.88 0.97 2 0 "[ . 1]"
147 . 1 80 ALA C 1 81 MET N 1 81 MET CA 1 81 MET C -72.50 -56.50 -61.19 -58.21 -59.66 0.24 3 0 "[ . 1]"
148 . 1 81 MET N 1 81 MET CA 1 81 MET C 1 82 ASP N -48.50 -31.70 -44.62 -49.34 -41.13 0.84 10 0 "[ . 1]"
149 . 1 81 MET C 1 82 ASP N 1 82 ASP CA 1 82 ASP C -67.20 -57.60 -57.30 -57.09 -57.22 1.67 3 0 "[ . 1]"
150 . 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 ALA N -48.40 -37.60 -39.79 -42.56 -43.43 1.20 3 0 "[ . 1]"
151 . 1 82 ASP C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -76.60 -54.60 -54.83 -60.88 -52.76 1.84 8 0 "[ . 1]"
152 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 ALA N -51.10 -29.50 -45.43 -47.76 -41.79 . . 0 "[ . 1]"
153 . 1 83 ALA C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -69.90 -58.30 -58.98 -60.19 -63.19 1.46 5 0 "[ . 1]"
154 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 GLU N -46.00 -35.20 -43.02 -42.10 -45.05 0.65 1 0 "[ . 1]"
155 . 1 84 ALA C 1 85 GLU N 1 85 GLU CA 1 85 GLU C -78.70 -52.30 -61.02 -61.82 -64.14 . . 0 "[ . 1]"
156 . 1 85 GLU N 1 85 GLU CA 1 85 GLU C 1 86 ASP N -51.40 -27.80 -30.36 -38.35 -27.24 0.56 3 0 "[ . 1]"
157 . 1 85 GLU C 1 86 ASP N 1 86 ASP CA 1 86 ASP C -73.70 -55.70 -70.68 -73.84 -62.09 0.14 2 0 "[ . 1]"
158 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 HIS N -49.70 -27.30 -40.93 -46.06 -35.51 . . 0 "[ . 1]"
159 . 1 86 ASP C 1 87 HIS N 1 87 HIS CA 1 87 HIS C -72.90 -56.90 -64.19 -61.25 -63.79 . . 0 "[ . 1]"
160 . 1 87 HIS N 1 87 HIS CA 1 87 HIS C 1 88 ARG N -55.00 -32.20 -39.34 -35.66 -43.71 0.62 3 0 "[ . 1]"
161 . 1 87 HIS C 1 88 ARG N 1 88 ARG CA 1 88 ARG C -71.70 -48.90 -59.82 -71.94 -48.27 0.63 8 0 "[ . 1]"
162 . 1 88 ARG N 1 88 ARG CA 1 88 ARG C 1 89 GLN N -66.70 -34.30 -64.29 -63.76 -65.89 0.43 10 0 "[ . 1]"
163 . 1 88 ARG C 1 89 GLN N 1 89 GLN CA 1 89 GLN C -70.90 -54.50 -56.28 -53.87 -53.89 0.74 3 0 "[ . 1]"
164 . 1 89 GLN N 1 89 GLN CA 1 89 GLN C 1 90 GLY N -47.20 -31.60 -31.19 -31.14 -31.19 1.03 5 0 "[ . 1]"
165 . 1 89 GLN C 1 90 GLY N 1 90 GLY CA 1 90 GLY C -77.60 -55.20 -71.49 -76.46 -66.68 . . 0 "[ . 1]"
166 . 1 90 GLY N 1 90 GLY CA 1 90 GLY C 1 91 ILE N -50.50 -31.70 -45.32 -47.06 -43.53 . . 0 "[ . 1]"
167 . 1 90 GLY C 1 91 ILE N 1 91 ILE CA 1 91 ILE C -86.60 -45.00 -78.87 -80.45 -81.48 . . 0 "[ . 1]"
168 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 ALA N -60.50 -20.90 -21.35 -20.55 -20.83 1.70 6 0 "[ . 1]"
169 . 1 91 ILE C 1 92 ALA N 1 92 ALA CA 1 92 ALA C -78.50 -52.10 -73.17 -79.74 -57.72 1.24 3 0 "[ . 1]"
170 . 1 92 ALA N 1 92 ALA CA 1 92 ALA C 1 93 ARG N -59.60 -8.00 -53.70 -51.83 -52.29 1.76 6 0 "[ . 1]"
171 . 1 92 ALA C 1 93 ARG N 1 93 ARG CA 1 93 ARG C -92.00 -51.60 -71.60 -78.91 -67.33 . . 0 "[ . 1]"
172 . 1 93 ARG N 1 93 ARG CA 1 93 ARG C 1 94 ASN N -56.00 -8.00 -26.93 -47.43 -7.33 0.67 4 0 "[ . 1]"
173 . 1 93 ARG C 1 94 ASN N 1 94 ASN CA 1 94 ASN C -95.70 -59.30 -78.73 -69.09 -95.77 1.21 7 0 "[ . 1]"
174 . 1 94 ASN N 1 94 ASN CA 1 94 ASN C 1 95 HIS N -74.50 6.70 -12.61 -3.51 -5.10 0.71 10 0 "[ . 1]"
175 . 1 97 ASP C 1 98 CYS N 1 98 CYS CA 1 98 CYS C -131.20 -55.60 -68.02 -55.35 -55.47 0.62 10 0 "[ . 1]"
176 . 1 98 CYS N 1 98 CYS CA 1 98 CYS C 1 99 GLY N 68.90 -165.10 118.46 101.29 91.07 . . 0 "[ . 1]"
177 . 1 99 GLY C 1 100 TYR N 1 100 TYR CA 1 100 TYR C -65.20 -55.20 -65.68 -66.18 -65.37 0.98 9 0 "[ . 1]"
178 . 1 100 TYR N 1 100 TYR CA 1 100 TYR C 1 101 GLU N -47.10 -27.10 -43.72 -47.21 -47.37 0.40 1 0 "[ . 1]"
179 . 1 100 TYR C 1 101 GLU N 1 101 GLU CA 1 101 GLU C -72.30 -54.30 -62.72 -55.74 -59.17 0.23 6 0 "[ . 1]"
180 . 1 101 GLU N 1 101 GLU CA 1 101 GLU C 1 102 MET N -51.70 -28.90 -37.36 -43.77 -31.33 . . 0 "[ . 1]"
181 . 1 101 GLU C 1 102 MET N 1 102 MET CA 1 102 MET C -70.90 -57.70 -71.61 -72.13 -72.31 1.47 6 0 "[ . 1]"
182 . 1 102 MET N 1 102 MET CA 1 102 MET C 1 103 HIS N -47.60 -28.40 -44.06 -44.51 -44.96 0.11 3 0 "[ . 1]"
183 . 1 102 MET C 1 103 HIS N 1 103 HIS CA 1 103 HIS C -81.60 -50.80 -53.69 -51.93 -52.83 0.09 8 0 "[ . 1]"
184 . 1 103 HIS N 1 103 HIS CA 1 103 HIS C 1 104 THR N -64.50 -24.10 -34.99 -31.19 -31.26 . . 0 "[ . 1]"
185 . 1 103 HIS C 1 104 THR N 1 104 THR CA 1 104 THR C -76.80 -51.60 -71.95 -79.86 -63.06 3.06 9 0 "[ . 1]"
186 . 1 104 THR N 1 104 THR CA 1 104 THR C 1 105 CYS N -51.30 -19.30 -43.47 -50.24 -37.77 . . 0 "[ . 1]"
187 . 1 104 THR C 1 105 CYS N 1 105 CYS CA 1 105 CYS C -74.40 -55.20 -52.18 -53.90 -50.42 4.78 7 0 "[ . 1]"
188 . 1 105 CYS N 1 105 CYS CA 1 105 CYS C 1 106 LEU N -61.80 -27.00 -44.25 -51.31 -36.63 . . 0 "[ . 1]"
189 . 1 105 CYS C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -72.70 -49.50 -66.36 -64.80 -67.00 0.38 10 0 "[ . 1]"
190 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 GLY N -61.80 -20.60 -41.55 -47.84 -22.43 . . 0 "[ . 1]"
191 . 1 106 LEU C 1 107 GLY N 1 107 GLY CA 1 107 GLY C -72.10 -44.50 -49.45 -46.70 -47.54 1.19 8 0 "[ . 1]"
192 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C 1 108 GLU N -58.00 -14.00 -51.45 -58.96 -30.84 0.96 3 0 "[ . 1]"
193 . 1 107 GLY C 1 108 GLU N 1 108 GLU CA 1 108 GLU C -93.50 -45.10 -82.97 -70.39 -77.37 . . 0 "[ . 1]"
194 . 1 108 GLU N 1 108 GLU CA 1 108 GLU C 1 109 MET N -55.00 -22.60 -24.70 -23.46 -47.96 1.13 2 0 "[ . 1]"
195 . 1 108 GLU C 1 109 MET N 1 109 MET CA 1 109 MET C -76.40 -54.80 -71.56 -77.09 -54.31 0.69 4 0 "[ . 1]"
196 . 1 109 MET N 1 109 MET CA 1 109 MET C 1 110 TYR N -55.90 -11.50 -13.39 -37.45 -10.14 1.36 9 0 "[ . 1]"
197 . 1 109 MET C 1 110 TYR N 1 110 TYR CA 1 110 TYR C -96.40 -52.40 -88.73 -97.19 -71.19 0.79 6 0 "[ . 1]"
198 . 1 110 TYR N 1 110 TYR CA 1 110 TYR C 1 111 VAL N -42.20 11.80 -36.39 -43.59 12.43 1.39 8 0 "[ . 1]"
199 . 1 110 TYR C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -137.10 -34.70 -76.32 -70.80 -76.58 . . 0 "[ . 1]"
200 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 SER N -52.70 28.10 -15.81 -15.41 -21.14 . . 0 "[ . 1]"
201 . 1 111 VAL C 1 112 SER N 1 112 SER CA 1 112 SER C -116.00 -55.20 -79.10 -106.85 -55.07 0.13 8 0 "[ . 1]"
202 . 1 112 SER N 1 112 SER CA 1 112 SER C 1 113 ASP N -58.70 10.50 -36.04 -25.89 -52.75 0.36 1 0 "[ . 1]"
203 . 1 112 SER C 1 113 ASP N 1 113 ASP CA 1 113 ASP C -172.60 -52.20 -101.40 -147.34 -60.22 . . 0 "[ . 1]"
204 . 1 113 ASP N 1 113 ASP CA 1 113 ASP C 1 114 GLU N 51.70 170.90 124.99 122.53 112.16 . . 0 "[ . 1]"
205 . 1 113 ASP C 1 114 GLU N 1 114 GLU CA 1 114 GLU C -72.50 -46.90 -69.20 -73.27 -57.01 0.77 7 0 "[ . 1]"
206 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C 1 115 ARG N -51.00 -5.00 -29.70 -51.94 -9.10 0.94 2 0 "[ . 1]"
207 . 1 114 GLU C 1 115 ARG N 1 115 ARG CA 1 115 ARG C -66.40 -55.20 -62.69 -63.21 -66.44 0.41 10 0 "[ . 1]"
208 . 1 115 ARG N 1 115 ARG CA 1 115 ARG C 1 116 PHE N -48.50 -34.50 -40.45 -37.37 -41.44 0.45 3 0 "[ . 1]"
209 . 1 115 ARG C 1 116 PHE N 1 116 PHE CA 1 116 PHE C -69.40 -56.20 -66.02 -69.96 -58.27 0.56 8 0 "[ . 1]"
210 . 1 116 PHE N 1 116 PHE CA 1 116 PHE C 1 117 THR N -51.80 -29.40 -51.94 -52.18 -52.31 0.56 4 0 "[ . 1]"
211 . 1 116 PHE C 1 117 THR N 1 117 THR CA 1 117 THR C -69.20 -52.80 -54.83 -57.59 -52.17 0.63 5 0 "[ . 1]"
212 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 ARG N -54.80 -38.00 -55.73 -56.38 -55.14 1.58 9 0 "[ . 1]"
213 . 1 117 THR C 1 118 ARG N 1 118 ARG CA 1 118 ARG C -69.90 -47.90 -54.60 -54.77 -56.23 0.03 6 0 "[ . 1]"
214 . 1 118 ARG N 1 118 ARG CA 1 118 ARG C 1 119 ASN N -60.90 -24.50 -38.84 -41.86 -35.40 . . 0 "[ . 1]"
215 . 1 118 ARG C 1 119 ASN N 1 119 ASN CA 1 119 ASN C -84.60 -54.60 -75.36 -74.22 -75.01 . . 0 "[ . 1]"
216 . 1 119 ASN N 1 119 ASN CA 1 119 ASN C 1 120 ILE N -48.00 -36.40 -37.03 -40.00 -35.46 0.94 3 0 "[ . 1]"
217 . 1 119 ASN C 1 120 ILE N 1 120 ILE CA 1 120 ILE C -75.80 -51.80 -77.29 -77.65 -76.36 1.85 6 0 "[ . 1]"
218 . 1 120 ILE N 1 120 ILE CA 1 120 ILE C 1 121 ASP N -54.00 -34.40 -47.96 -54.99 -39.37 0.99 10 0 "[ . 1]"
219 . 1 120 ILE C 1 121 ASP N 1 121 ASP CA 1 121 ASP C -76.90 -50.10 -69.56 -70.47 -71.49 0.67 3 0 "[ . 1]"
220 . 1 121 ASP N 1 121 ASP CA 1 121 ASP C 1 122 ALA N -65.60 -5.60 -9.69 -7.85 -8.15 . . 0 "[ . 1]"
221 . 1 121 ASP C 1 122 ALA N 1 122 ALA CA 1 122 ALA C -98.50 -38.50 -39.43 -40.09 -40.27 0.53 3 0 "[ . 1]"
222 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C 1 123 ALA N -69.20 -9.20 -25.91 -27.66 -23.12 . . 0 "[ . 1]"
223 . 1 122 ALA C 1 123 ALA N 1 123 ALA CA 1 123 ALA C -97.00 -71.40 -86.79 -89.04 -85.06 . . 0 "[ . 1]"
224 . 1 123 ALA N 1 123 ALA CA 1 123 ALA C 1 124 LYS N -34.20 5.00 -34.28 -36.06 -26.55 1.86 9 0 "[ . 1]"
225 . 1 124 LYS C 1 125 PRO N 1 125 PRO CA 1 125 PRO C -78.00 -46.40 -72.06 -79.30 -44.84 1.56 3 0 "[ . 1]"
226 . 1 125 PRO N 1 125 PRO CA 1 125 PRO C 1 126 GLY N 122.70 166.70 137.73 140.96 139.87 . . 0 "[ . 1]"
227 . 1 127 LEU C 1 128 ALA N 1 128 ALA CA 1 128 ALA C -71.00 -50.60 -56.89 -56.00 -56.59 . . 0 "[ . 1]"
228 . 1 128 ALA N 1 128 ALA CA 1 128 ALA C 1 129 ALA N -67.30 -27.30 -46.10 -53.51 -42.03 . . 0 "[ . 1]"
229 . 1 128 ALA C 1 129 ALA N 1 129 ALA CA 1 129 ALA C -65.90 -54.30 -67.57 -67.86 -68.27 2.64 9 0 "[ . 1]"
230 . 1 129 ALA N 1 129 ALA CA 1 129 ALA C 1 130 TYR N -51.00 -35.80 -40.45 -39.95 -40.09 . . 0 "[ . 1]"
231 . 1 129 ALA C 1 130 TYR N 1 130 TYR CA 1 130 TYR C -75.40 -54.20 -64.63 -62.24 -62.55 . . 0 "[ . 1]"
232 . 1 130 TYR N 1 130 TYR CA 1 130 TYR C 1 131 MET N -54.90 -35.70 -37.58 -35.35 -35.53 1.95 8 0 "[ . 1]"
233 . 1 130 TYR C 1 131 MET N 1 131 MET CA 1 131 MET C -76.60 -47.00 -70.07 -75.11 -76.86 0.27 10 0 "[ . 1]"
234 . 1 131 MET N 1 131 MET CA 1 131 MET C 1 132 ARG N -57.90 -21.90 -46.59 -42.81 -45.29 . . 0 "[ . 1]"
235 . 1 131 MET C 1 132 ARG N 1 132 ARG CA 1 132 ARG C -68.40 -52.80 -54.53 -63.03 -52.42 0.38 3 0 "[ . 1]"
236 . 1 132 ARG N 1 132 ARG CA 1 132 ARG C 1 133 ASP N -46.20 -38.20 -49.03 -49.94 -48.25 3.74 10 0 "[ . 1]"
237 . 1 132 ARG C 1 133 ASP N 1 133 ASP CA 1 133 ASP C -80.00 -52.00 -62.78 -65.28 -51.62 0.38 10 0 "[ . 1]"
238 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 ALA N -51.30 -27.70 -39.88 -43.68 -37.08 . . 0 "[ . 1]"
239 . 1 133 ASP C 1 134 ALA N 1 134 ALA CA 1 134 ALA C -80.10 -46.90 -61.95 -62.28 -63.65 . . 0 "[ . 1]"
240 . 1 134 ALA N 1 134 ALA CA 1 134 ALA C 1 135 ILE N -55.60 -33.60 -41.35 -41.69 -42.20 . . 0 "[ . 1]"
241 . 1 134 ALA C 1 135 ILE N 1 135 ILE CA 1 135 ILE C -73.80 -53.00 -73.61 -75.39 -70.99 1.59 2 0 "[ . 1]"
242 . 1 135 ILE N 1 135 ILE CA 1 135 ILE C 1 136 LEU N -52.90 -29.30 -42.52 -44.45 -40.98 . . 0 "[ . 1]"
243 . 1 135 ILE C 1 136 LEU N 1 136 LEU CA 1 136 LEU C -71.80 -53.00 -60.10 -63.17 -57.43 . . 0 "[ . 1]"
244 . 1 136 LEU N 1 136 LEU CA 1 136 LEU C 1 137 ALA N -56.00 -38.00 -49.77 -48.49 -49.18 . . 0 "[ . 1]"
245 . 1 136 LEU C 1 137 ALA N 1 137 ALA CA 1 137 ALA C -76.20 -55.40 -61.08 -64.62 -55.35 0.05 10 0 "[ . 1]"
246 . 1 137 ALA N 1 137 ALA CA 1 137 ALA C 1 138 ASN N -48.60 -28.20 -45.86 -45.43 -45.68 . . 0 "[ . 1]"
247 . 1 137 ALA C 1 138 ASN N 1 138 ASN CA 1 138 ASN C -72.30 -55.10 -54.51 -54.44 -54.45 1.17 5 0 "[ . 1]"
248 . 1 138 ASN N 1 138 ASN CA 1 138 ASN C 1 139 ALA N -49.30 -31.30 -41.03 -40.14 -40.87 . . 0 "[ . 1]"
249 . 1 138 ASN C 1 139 ALA N 1 139 ALA CA 1 139 ALA C -77.30 -55.30 -66.50 -65.61 -66.61 . . 0 "[ . 1]"
250 . 1 139 ALA N 1 139 ALA CA 1 139 ALA C 1 140 VAL N -60.40 -18.80 -34.40 -43.71 -23.80 . . 0 "[ . 1]"
251 . 1 139 ALA C 1 140 VAL N 1 140 VAL CA 1 140 VAL C -88.10 -46.50 -61.84 -65.48 -69.14 . . 0 "[ . 1]"
252 . 1 140 VAL N 1 140 VAL CA 1 140 VAL C 1 141 ARG N -61.20 -20.40 -44.51 -44.13 -44.66 . . 0 "[ . 1]"
253 . 1 140 VAL C 1 141 ARG N 1 141 ARG CA 1 141 ARG C -77.10 -47.50 -59.80 -55.22 -61.80 . . 0 "[ . 1]"
254 . 1 141 ARG N 1 141 ARG CA 1 141 ARG C 1 142 HIS N -64.30 -5.10 -16.67 -20.89 -3.65 1.45 10 0 "[ . 1]"
255 . 1 142 HIS C 1 143 THR N 1 143 THR CA 1 143 THR C -90.10 -42.90 -48.12 -51.17 -41.82 1.08 10 0 "[ . 1]"
256 . 1 143 THR N 1 143 THR CA 1 143 THR C 1 144 PRO N 100.90 161.70 120.30 107.93 140.48 . . 0 "[ . 1]"
stop_
save_
save_dihedral_constraint_statistics_2
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 2
_TA_constraint_stats_list.Viol_count 17
_TA_constraint_stats_list.Viol_total 14039.26
_TA_constraint_stats_list.Viol_max 94.96
_TA_constraint_stats_list.Viol_rms 31.19
_TA_constraint_stats_list.Viol_average_all_restraints 70.20
_TA_constraint_stats_list.Viol_average_violations_only 82.58
_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 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG 150.00 -150.00 89.11 75.56 63.10 94.96 7 7 "[*- *.*+**1]"
2 . 1 32 ASN N 1 32 ASN CA 1 32 ASN CB 1 32 ASN CG -90.00 -30.00 -175.08 40.07 -167.59 86.82 5 10 [*-**+*****]
stop_
save_
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