Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547081 | 2lmt RC | 17353 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lmt
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 174
_TA_constraint_stats_list.Viol_count 1162
_TA_constraint_stats_list.Viol_total 1024313.38
_TA_constraint_stats_list.Viol_max 126.25
_TA_constraint_stats_list.Viol_rms 31.92
_TA_constraint_stats_list.Viol_average_all_restraints 14.72
_TA_constraint_stats_list.Viol_average_violations_only 44.08
_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 2 SER N 1 2 SER CA 1 2 SER CB 1 2 SER OG 150.00 -150.00 178.61 178.04 177.85 . . 0 "[ . 1 . 2]"
2 . 1 3 GLU HA 1 3 GLU CA 1 3 GLU CB 1 3 GLU CG 150.00 -150.00 50.89 52.37 48.24 112.24 13 20 [********-***+*******]
3 . 1 7 GLU HA 1 7 GLU CA 1 7 GLU CB 1 7 GLU CG 150.00 -150.00 170.22 171.71 170.11 . . 0 "[ . 1 . 2]"
4 . 1 8 GLN N 1 8 GLN CA 1 8 GLN CB 1 8 GLN CG 150.00 -150.00 46.49 46.34 45.81 106.48 9 20 [********+*********-*]
5 . 1 11 GLU N 1 11 GLU CA 1 11 GLU CB 1 11 GLU CG 150.00 -150.00 -150.58 -155.21 -149.12 0.88 20 0 "[ . 1 . 2]"
6 . 1 12 PHE C 1 12 PHE CA 1 12 PHE CB 1 12 PHE CG 150.00 -150.00 -78.50 -80.89 -82.78 79.32 15 20 [-*************+*****]
7 . 1 16 PHE N 1 16 PHE CA 1 16 PHE CB 1 16 PHE CG 150.00 -150.00 -158.39 -171.38 -147.16 2.84 12 0 "[ . 1 . 2]"
8 . 1 18 GLN C 1 18 GLN CA 1 18 GLN CB 1 18 GLN CG 150.00 -150.00 -61.07 -45.99 -52.47 106.18 2 20 [*+*********-********]
9 . 1 19 PHE C 1 19 PHE CA 1 19 PHE CB 1 19 PHE CG 150.00 -150.00 147.52 145.96 150.00 4.04 16 0 "[ . 1 . 2]"
10 . 1 20 ASP N 1 20 ASP CA 1 20 ASP CB 1 20 ASP CG 150.00 -150.00 168.75 166.14 164.66 . . 0 "[ . 1 . 2]"
11 . 1 22 GLU C 1 22 GLU CA 1 22 GLU CB 1 22 GLU CG 150.00 -150.00 175.01 169.36 168.71 . . 0 "[ . 1 . 2]"
12 . 1 30 ARG N 1 30 ARG CA 1 30 ARG CB 1 30 ARG CG 150.00 -150.00 -150.79 56.06 -61.70 93.94 5 12 "[ ***+ *** *-* **]"
13 . 1 32 LEU N 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG 150.00 -150.00 175.80 163.22 -174.15 . . 0 "[ . 1 . 2]"
14 . 1 35 LEU HA 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 150.00 -150.00 25.28 23.75 26.42 126.25 7 20 [******+**-**********]
15 . 1 37 ARG C 1 37 ARG CA 1 37 ARG CB 1 37 ARG CG 150.00 -150.00 165.71 158.31 173.45 . . 0 "[ . 1 . 2]"
16 . 1 39 LEU C 1 39 LEU CA 1 39 LEU CB 1 39 LEU CG 150.00 -150.00 146.54 144.25 148.19 5.75 4 2 "[ +. - . 2]"
17 . 1 41 GLN C 1 41 GLN CA 1 41 GLN CB 1 41 GLN CG 150.00 -150.00 177.63 169.39 166.89 . . 0 "[ . 1 . 2]"
18 . 1 42 ASN C 1 42 ASN CA 1 42 ASN CB 1 42 ASN CG 150.00 -150.00 174.47 164.72 -171.33 . . 0 "[ . 1 . 2]"
19 . 1 47 GLU N 1 47 GLU CA 1 47 GLU CB 1 47 GLU CG 150.00 -150.00 72.79 63.72 84.74 86.28 7 20 [**-***+*************]
20 . 1 49 GLN HA 1 49 GLN CA 1 49 GLN CB 1 49 GLN CG 150.00 -150.00 -175.93 179.50 -172.00 . . 0 "[ . 1 . 2]"
21 . 1 51 LEU C 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 150.00 -150.00 -65.43 -66.28 -66.57 88.28 18 20 [*****************+*-]
22 . 1 54 GLU N 1 54 GLU CA 1 54 GLU CB 1 54 GLU CG 150.00 -150.00 155.86 146.73 -146.72 3.28 1 0 "[ . 1 . 2]"
23 . 1 57 ASN N 1 57 ASN CA 1 57 ASN CB 1 57 ASN CG 150.00 -150.00 -176.42 175.51 -147.59 2.41 1 0 "[ . 1 . 2]"
24 . 1 62 GLN C 1 62 GLN CA 1 62 GLN CB 1 62 GLN CG 150.00 -150.00 -86.42 -93.20 -62.26 87.74 7 20 [*-****+*************]
25 . 1 64 ASN HA 1 64 ASN CA 1 64 ASN CB 1 64 ASN CG 150.00 -150.00 71.06 69.50 68.40 84.89 13 20 [**********-*+*******]
26 . 1 67 GLU C 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG 150.00 -150.00 -73.66 -91.42 -61.72 88.28 10 20 [*********+********-*]
27 . 1 68 PHE N 1 68 PHE CA 1 68 PHE CB 1 68 PHE CG 150.00 -150.00 172.77 169.53 176.04 . . 0 "[ . 1 . 2]"
28 . 1 72 MET C 1 72 MET CA 1 72 MET CB 1 72 MET CG 150.00 -150.00 -66.10 -77.16 -58.06 91.94 10 20 [*********+****-*****]
29 . 1 76 MET C 1 76 MET CA 1 76 MET CB 1 76 MET CG 150.00 -150.00 169.28 158.68 -175.58 . . 0 "[ . 1 . 2]"
30 . 1 78 GLU HA 1 78 GLU CA 1 78 GLU CB 1 78 GLU CG 150.00 -150.00 53.35 28.25 67.15 121.75 8 20 [**-****+************]
31 . 1 82 GLU HA 1 82 GLU CA 1 82 GLU CB 1 82 GLU CG 150.00 -150.00 40.61 29.16 47.91 120.84 13 20 [******-*****+*******]
32 . 1 93 ASP N 1 93 ASP CA 1 93 ASP CB 1 93 ASP CG 150.00 -150.00 -167.30 -170.64 -165.44 . . 0 "[ . 1 . 2]"
33 . 1 94 ARG HA 1 94 ARG CA 1 94 ARG CB 1 94 ARG CG 150.00 -150.00 57.54 59.41 58.96 110.16 12 20 [*********-*+********]
34 . 1 95 ASP HA 1 95 ASP CA 1 95 ASP CB 1 95 ASP CG 150.00 -150.00 91.15 91.22 91.16 59.96 12 20 [*********-*+********]
35 . 1 99 PHE C 1 99 PHE CA 1 99 PHE CB 1 99 PHE CG 150.00 -150.00 -99.28 -101.20 -97.21 52.79 1 20 [+******-************]
36 . 1 105 LEU N 1 105 LEU CA 1 105 LEU CB 1 105 LEU CG 150.00 -150.00 175.10 174.15 172.35 . . 0 "[ . 1 . 2]"
37 . 1 107 PHE N 1 107 PHE CA 1 107 PHE CB 1 107 PHE CG 150.00 -150.00 -177.73 174.84 -167.75 . . 0 "[ . 1 . 2]"
38 . 1 109 MET C 1 109 MET CA 1 109 MET CB 1 109 MET CG 150.00 -150.00 -59.78 -65.94 -52.31 97.69 13 20 [**-*********+*******]
39 . 1 112 LEU C 1 112 LEU CA 1 112 LEU CB 1 112 LEU CG 150.00 -150.00 -57.52 -55.82 -56.08 97.02 19 20 [**-***************+*]
40 . 1 114 GLU C 1 114 GLU CA 1 114 GLU CB 1 114 GLU CG 150.00 -150.00 168.71 160.56 -176.90 . . 0 "[ . 1 . 2]"
41 . 1 115 LYS HA 1 115 LYS CA 1 115 LYS CB 1 115 LYS CG 150.00 -150.00 51.33 30.87 74.74 119.13 13 20 [**********-*+*******]
42 . 1 118 ASP C 1 118 ASP CA 1 118 ASP CB 1 118 ASP CG 150.00 -150.00 175.38 170.47 179.77 . . 0 "[ . 1 . 2]"
43 . 1 119 GLU C 1 119 GLU CA 1 119 GLU CB 1 119 GLU CG 150.00 -150.00 -68.58 -64.63 -65.94 85.68 2 20 [*+******-***********]
44 . 1 120 GLU HA 1 120 GLU CA 1 120 GLU CB 1 120 GLU CG 150.00 -150.00 -175.59 163.01 -155.25 . . 0 "[ . 1 . 2]"
45 . 1 122 ASP N 1 122 ASP CA 1 122 ASP CB 1 122 ASP CG 150.00 -150.00 81.94 83.26 82.42 71.29 15 20 [**-***********+*****]
46 . 1 123 GLU N 1 123 GLU CA 1 123 GLU CB 1 123 GLU CG 150.00 -150.00 178.32 175.11 174.17 53.35 18 1 "[ . 1 . + 2]"
47 . 1 124 MET HA 1 124 MET CA 1 124 MET CB 1 124 MET CG 150.00 -150.00 168.32 161.06 174.99 . . 0 "[ . 1 . 2]"
48 . 1 126 ARG HA 1 126 ARG CA 1 126 ARG CB 1 126 ARG CG 150.00 -150.00 -173.80 -175.99 -176.70 . . 0 "[ . 1 . 2]"
49 . 1 129 ASP N 1 129 ASP CA 1 129 ASP CB 1 129 ASP CG 150.00 -150.00 -167.82 -169.61 -170.02 4.77 7 0 "[ . 1 . 2]"
50 . 1 130 PHE C 1 130 PHE CA 1 130 PHE CB 1 130 PHE CG 150.00 -150.00 178.79 173.51 -177.76 . . 0 "[ . 1 . 2]"
51 . 1 131 ASP HA 1 131 ASP CA 1 131 ASP CB 1 131 ASP CG 150.00 -150.00 94.26 94.45 94.33 57.59 7 20 [******+-************]
52 . 1 133 ASP HA 1 133 ASP CA 1 133 ASP CB 1 133 ASP CG 150.00 -150.00 94.90 94.74 94.63 55.65 3 20 [**+***-*************]
53 . 1 135 MET C 1 135 MET CA 1 135 MET CB 1 135 MET CG 150.00 -150.00 -74.69 -80.00 -83.93 83.66 7 20 [-*****+*************]
54 . 1 139 GLU N 1 139 GLU CA 1 139 GLU CB 1 139 GLU CG 150.00 -150.00 54.67 54.81 54.43 97.71 14 20 [*****-*******+******]
55 . 1 140 GLU C 1 140 GLU CA 1 140 GLU CB 1 140 GLU CG 150.00 -150.00 -167.07 -167.04 -167.59 . . 0 "[ . 1 . 2]"
56 . 1 141 PHE N 1 141 PHE CA 1 141 PHE CB 1 141 PHE CG 150.00 -150.00 169.59 172.99 172.47 . . 0 "[ . 1 . 2]"
57 . 1 143 TRP N 1 143 TRP CA 1 143 TRP CB 1 143 TRP CG 150.00 -150.00 156.06 157.09 156.83 . . 0 "[ . 1 . 2]"
58 . 1 144 MET N 1 144 MET CA 1 144 MET CB 1 144 MET CG 150.00 -150.00 170.89 167.99 172.96 . . 0 "[ . 1 . 2]"
59 . 1 147 GLN HA 1 147 GLN CA 1 147 GLN CB 1 147 GLN CG 150.00 -150.00 89.42 87.15 91.91 62.85 7 20 [******+**********-**]
60 . 1 148 LYS C 1 148 LYS CA 1 148 LYS CB 1 148 LYS CG 150.00 -150.00 174.99 164.33 160.25 . . 0 "[ . 1 . 2]"
61 . 1 9 ILE N 1 9 ILE CA 1 9 ILE CB 1 9 ILE CG2 150.00 -150.00 175.82 171.67 179.90 . . 0 "[ . 1 . 2]"
62 . 1 71 ILE N 1 71 ILE CA 1 71 ILE CB 1 71 ILE CG2 150.00 -150.00 163.02 160.03 166.22 . . 0 "[ . 1 . 2]"
63 . 1 91 ILE N 1 91 ILE CA 1 91 ILE CB 1 91 ILE CG2 150.00 -150.00 -179.07 174.12 -173.61 . . 0 "[ . 1 . 2]"
64 . 1 100 ILE N 1 100 ILE CA 1 100 ILE CB 1 100 ILE CG2 150.00 -150.00 -177.24 -178.31 -178.45 . . 0 "[ . 1 . 2]"
65 . 1 110 ILE N 1 110 ILE CA 1 110 ILE CB 1 110 ILE CG2 150.00 -150.00 176.74 175.04 172.04 . . 0 "[ . 1 . 2]"
66 . 1 121 ILE N 1 121 ILE CA 1 121 ILE CB 1 121 ILE CG2 150.00 -150.00 166.56 168.63 167.67 . . 0 "[ . 1 . 2]"
67 . 1 125 ILE N 1 125 ILE CA 1 125 ILE CB 1 125 ILE CG2 150.00 -150.00 -179.52 -178.08 -178.72 . . 0 "[ . 1 . 2]"
68 . 1 136 ILE N 1 136 ILE CA 1 136 ILE CB 1 136 ILE CG2 150.00 -150.00 -177.36 178.36 -168.65 . . 0 "[ . 1 . 2]"
69 . 1 145 ILE N 1 145 ILE CA 1 145 ILE CB 1 145 ILE HB 150.00 -150.00 179.11 159.88 -164.52 . . 0 "[ . 1 . 2]"
70 . 1 29 THR C 1 29 THR CA 1 29 THR CB 1 29 THR CG2 150.00 -150.00 -179.98 -179.20 179.78 . . 0 "[ . 1 . 2]"
71 . 1 44 THR C 1 44 THR CA 1 44 THR CB 1 44 THR CG2 150.00 -150.00 176.79 171.25 -176.43 . . 0 "[ . 1 . 2]"
72 . 1 81 THR N 1 81 THR CA 1 81 THR CB 1 81 THR HB 150.00 -150.00 153.37 147.87 165.23 2.13 14 0 "[ . 1 . 2]"
73 . 1 117 THR N 1 117 THR CA 1 117 THR CB 1 117 THR HB 150.00 -150.00 169.95 164.53 174.98 . . 0 "[ . 1 . 2]"
74 . 1 108 VAL HA 1 108 VAL CA 1 108 VAL CB 1 108 VAL HB 150.00 -150.00 173.14 174.23 173.78 . . 0 "[ . 1 . 2]"
75 . 1 116 VAL N 1 116 VAL CA 1 116 VAL CB 1 116 VAL HB 150.00 -150.00 -158.81 -163.09 -153.30 . . 0 "[ . 1 . 2]"
76 . 1 142 VAL HA 1 142 VAL CA 1 142 VAL CB 1 142 VAL HB 150.00 -150.00 61.23 63.39 63.04 92.84 13 20 [*-**********+*******]
77 . 1 9 ILE CA 1 9 ILE CB 1 9 ILE CG1 1 9 ILE CD1 150.00 -150.00 179.67 177.46 -175.79 . . 0 "[ . 1 . 2]"
78 . 1 27 ILE CA 1 27 ILE CB 1 27 ILE CG1 1 27 ILE CD1 150.00 -150.00 155.52 149.82 173.10 0.18 9 0 "[ . 1 . 2]"
79 . 1 52 ILE CA 1 52 ILE CB 1 52 ILE CG1 1 52 ILE CD1 150.00 -150.00 171.67 167.67 175.06 . . 0 "[ . 1 . 2]"
80 . 1 71 ILE CA 1 71 ILE CB 1 71 ILE CG1 1 71 ILE CD1 150.00 -150.00 -179.28 -178.42 -178.70 . . 0 "[ . 1 . 2]"
81 . 1 91 ILE CA 1 91 ILE CB 1 91 ILE CG1 1 91 ILE CD1 150.00 -150.00 173.80 171.29 178.18 . . 0 "[ . 1 . 2]"
82 . 1 100 ILE CA 1 100 ILE CB 1 100 ILE CG1 1 100 ILE CD1 150.00 -150.00 158.03 158.16 157.74 . . 0 "[ . 1 . 2]"
83 . 1 125 ILE CA 1 125 ILE CB 1 125 ILE CG1 1 125 ILE CD1 150.00 -150.00 174.99 169.63 -149.66 0.34 20 0 "[ . 1 . 2]"
84 . 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG 1 32 LEU CD2 150.00 -150.00 -173.09 -178.88 -162.83 . . 0 "[ . 1 . 2]"
85 . 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD2 150.00 -150.00 166.35 160.38 172.16 . . 0 "[ . 1 . 2]"
86 . 1 39 LEU CA 1 39 LEU CB 1 39 LEU CG 1 39 LEU CD1 150.00 -150.00 55.68 62.73 59.99 119.77 15 20 [*-************+*****]
87 . 1 51 LEU CA 1 51 LEU CB 1 51 LEU CG 1 51 LEU CD1 150.00 -150.00 80.92 79.23 83.50 70.77 5 20 [****+*****-*********]
88 . 1 105 LEU CA 1 105 LEU CB 1 105 LEU CG 1 105 LEU CD2 150.00 -150.00 -175.66 171.24 -167.28 . . 0 "[ . 1 . 2]"
89 . 1 112 LEU CA 1 112 LEU CB 1 112 LEU CG 1 112 LEU CD1 150.00 -150.00 86.18 86.87 86.61 70.47 3 20 [**+***-*************]
90 . 1 2 SER N 1 2 SER CA 1 2 SER C 1 3 GLU N -55.00 -15.00 -55.74 -55.63 -55.79 1.78 3 0 "[ . 1 . 2]"
91 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 GLU N -55.00 -15.00 -41.04 -45.18 -36.84 . . 0 "[ . 1 . 2]"
92 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 GLN N -55.00 -15.00 -50.00 -52.01 -46.99 . . 0 "[ . 1 . 2]"
93 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 ILE N -55.00 -15.00 -33.87 -33.88 -34.02 . . 0 "[ . 1 . 2]"
94 . 1 9 ILE N 1 9 ILE CA 1 9 ILE C 1 10 ALA N -55.00 -15.00 -44.16 -45.80 -42.63 . . 0 "[ . 1 . 2]"
95 . 1 10 ALA N 1 10 ALA CA 1 10 ALA C 1 11 GLU N -55.00 -15.00 -20.57 -21.70 -22.24 . . 0 "[ . 1 . 2]"
96 . 1 12 PHE N 1 12 PHE CA 1 12 PHE C 1 13 LYS N -55.00 -15.00 -24.53 -26.55 -23.13 . . 0 "[ . 1 . 2]"
97 . 1 13 LYS N 1 13 LYS CA 1 13 LYS C 1 14 ASP N -55.00 -15.00 -51.43 -55.28 -44.35 0.28 12 0 "[ . 1 . 2]"
98 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 ALA N -55.00 -15.00 -35.58 -34.06 -34.67 . . 0 "[ . 1 . 2]"
99 . 1 15 ALA N 1 15 ALA CA 1 15 ALA C 1 16 PHE N -55.00 -15.00 -40.02 -44.23 -36.79 . . 0 "[ . 1 . 2]"
100 . 1 16 PHE N 1 16 PHE CA 1 16 PHE C 1 17 VAL N -55.00 -15.00 -53.14 -55.79 -47.90 0.79 2 0 "[ . 1 . 2]"
101 . 1 17 VAL N 1 17 VAL CA 1 17 VAL C 1 18 GLN N -55.00 -15.00 -45.28 -49.66 -42.59 . . 0 "[ . 1 . 2]"
102 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 PHE N -55.00 -15.00 -14.28 -14.67 -13.51 1.49 5 0 "[ . 1 . 2]"
103 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 GLY N 115.00 155.00 104.19 95.07 120.10 19.93 5 15 "[** + ******-** ***]"
104 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 ARG N -55.00 -15.00 -29.71 -33.42 -24.20 . . 0 "[ . 1 . 2]"
105 . 1 30 ARG N 1 30 ARG CA 1 30 ARG C 1 31 GLU N -55.00 -15.00 -9.41 -8.04 -11.90 16.17 19 12 "[ **** ** **.**-+2]"
106 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 LEU N -55.00 -15.00 -50.59 -54.28 -46.61 . . 0 "[ . 1 . 2]"
107 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 MET N -55.00 -15.00 -56.60 -56.65 -56.66 2.45 4 0 "[ . 1 . 2]"
108 . 1 36 MET N 1 36 MET CA 1 36 MET C 1 37 ARG N -55.00 -15.00 -35.59 -38.36 -31.23 . . 0 "[ . 1 . 2]"
109 . 1 37 ARG N 1 37 ARG CA 1 37 ARG C 1 38 THR N -55.00 -15.00 -50.16 -50.27 -50.82 1.31 15 0 "[ . 1 . 2]"
110 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 LEU N -55.00 -15.00 -19.14 -24.09 -14.93 0.07 4 0 "[ . 1 . 2]"
111 . 1 41 GLN N 1 41 GLN CA 1 41 GLN C 1 42 ASN N 115.00 155.00 124.47 124.89 123.74 1.11 17 0 "[ . 1 . 2]"
112 . 1 42 ASN N 1 42 ASN CA 1 42 ASN C 1 43 PRO N 115.00 155.00 113.31 113.68 113.49 3.23 9 0 "[ . 1 . 2]"
113 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 ALA N -55.00 -15.00 -39.70 -41.48 -43.67 . . 0 "[ . 1 . 2]"
114 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 GLU N -55.00 -15.00 -51.42 -55.36 -45.77 0.36 9 0 "[ . 1 . 2]"
115 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLN N -55.00 -15.00 -56.66 -56.25 -56.40 2.28 13 0 "[ . 1 . 2]"
116 . 1 49 GLN N 1 49 GLN CA 1 49 GLN C 1 50 ASP N -55.00 -15.00 -37.27 -38.75 -34.77 . . 0 "[ . 1 . 2]"
117 . 1 50 ASP N 1 50 ASP CA 1 50 ASP C 1 51 LEU N -55.00 -15.00 -51.52 -51.66 -51.82 . . 0 "[ . 1 . 2]"
118 . 1 51 LEU N 1 51 LEU CA 1 51 LEU C 1 52 ILE N -55.00 -15.00 -22.91 -23.48 -23.84 . . 0 "[ . 1 . 2]"
119 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 GLU N -55.00 -15.00 -34.91 -44.67 -20.92 . . 0 "[ . 1 . 2]"
120 . 1 54 GLU N 1 54 GLU CA 1 54 GLU C 1 55 ALA N -55.00 -15.00 -54.30 -55.55 -55.99 2.59 5 0 "[ . 1 . 2]"
121 . 1 55 ALA N 1 55 ALA CA 1 55 ALA C 1 56 GLU N -55.00 -15.00 -29.06 -35.58 -18.79 . . 0 "[ . 1 . 2]"
122 . 1 56 GLU N 1 56 GLU CA 1 56 GLU C 1 57 ASN N -55.00 -15.00 -24.84 -37.25 -14.31 0.69 4 0 "[ . 1 . 2]"
123 . 1 60 ASN N 1 60 ASN CA 1 60 ASN C 1 61 GLY N -55.00 -15.00 -43.25 -42.15 -42.64 . . 0 "[ . 1 . 2]"
124 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 LEU N 115.00 155.00 156.67 156.56 156.37 3.02 3 0 "[ . 1 . 2]"
125 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 ASN N 115.00 155.00 152.29 142.66 155.22 0.22 7 0 "[ . 1 . 2]"
126 . 1 64 ASN N 1 64 ASN CA 1 64 ASN C 1 65 PHE N 115.00 155.00 156.45 155.92 157.25 2.25 19 0 "[ . 1 . 2]"
127 . 1 65 PHE N 1 65 PHE CA 1 65 PHE C 1 66 THR N -55.00 -15.00 -31.67 -31.38 -31.52 . . 0 "[ . 1 . 2]"
128 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 GLU N -55.00 -15.00 -55.29 -54.87 -55.01 0.91 15 0 "[ . 1 . 2]"
129 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 PHE N -55.00 -15.00 -41.88 -45.68 -35.65 . . 0 "[ . 1 . 2]"
130 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 CYS N -55.00 -15.00 -56.17 -56.05 -56.14 1.92 11 0 "[ . 1 . 2]"
131 . 1 69 CYS N 1 69 CYS CA 1 69 CYS C 1 70 GLY N -55.00 -15.00 -36.05 -38.48 -33.79 . . 0 "[ . 1 . 2]"
132 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 ALA N -55.00 -15.00 -35.10 -35.39 -35.50 . . 0 "[ . 1 . 2]"
133 . 1 73 ALA N 1 73 ALA CA 1 73 ALA C 1 74 LYS N -55.00 -15.00 -51.77 -55.22 -45.11 0.22 6 0 "[ . 1 . 2]"
134 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 GLN N -55.00 -15.00 -24.56 -30.17 -18.34 . . 0 "[ . 1 . 2]"
135 . 1 75 GLN N 1 75 GLN CA 1 75 GLN C 1 76 MET N -55.00 -15.00 -18.54 -14.31 -14.55 2.68 15 0 "[ . 1 . 2]"
136 . 1 77 ARG N 1 77 ARG CA 1 77 ARG C 1 78 GLU N -55.00 -15.00 -29.00 -55.53 -12.54 2.46 17 0 "[ . 1 . 2]"
137 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 GLU N -55.00 -15.00 -57.29 -59.20 -56.28 4.20 17 0 "[ . 1 . 2]"
138 . 1 84 GLU N 1 84 GLU CA 1 84 GLU C 1 85 MET N -55.00 -15.00 -34.98 -39.59 -27.47 . . 0 "[ . 1 . 2]"
139 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 ARG N -55.00 -15.00 -54.02 -56.59 -49.23 1.59 11 0 "[ . 1 . 2]"
140 . 1 86 ARG N 1 86 ARG CA 1 86 ARG C 1 87 GLU N -55.00 -15.00 -31.34 -38.31 -27.98 . . 0 "[ . 1 . 2]"
141 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 ALA N -55.00 -15.00 -41.15 -41.63 -42.20 . . 0 "[ . 1 . 2]"
142 . 1 89 PHE N 1 89 PHE CA 1 89 PHE C 1 90 LYS N -55.00 -15.00 -42.66 -45.33 -40.26 . . 0 "[ . 1 . 2]"
143 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 ILE N -55.00 -15.00 -35.20 -35.35 -36.16 . . 0 "[ . 1 . 2]"
144 . 1 91 ILE N 1 91 ILE CA 1 91 ILE C 1 92 PHE N -55.00 -15.00 -41.34 -47.90 -36.70 . . 0 "[ . 1 . 2]"
145 . 1 94 ARG N 1 94 ARG CA 1 94 ARG C 1 95 ASP N -55.00 -15.00 -41.07 -51.78 -19.50 . . 0 "[ . 1 . 2]"
146 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 ILE N 115.00 155.00 134.09 132.29 131.44 . . 0 "[ . 1 . 2]"
147 . 1 100 ILE N 1 100 ILE CA 1 100 ILE C 1 101 SER N 115.00 155.00 113.85 113.71 113.61 1.89 17 0 "[ . 1 . 2]"
148 . 1 103 ALA N 1 103 ALA CA 1 103 ALA C 1 104 GLU N -55.00 -15.00 -39.55 -37.03 -37.99 . . 0 "[ . 1 . 2]"
149 . 1 105 LEU N 1 105 LEU CA 1 105 LEU C 1 106 ARG N -55.00 -15.00 -55.53 -55.61 -55.74 2.34 16 0 "[ . 1 . 2]"
150 . 1 106 ARG N 1 106 ARG CA 1 106 ARG C 1 107 PHE N -55.00 -15.00 -53.99 -56.10 -43.98 1.10 14 0 "[ . 1 . 2]"
151 . 1 107 PHE N 1 107 PHE CA 1 107 PHE C 1 108 VAL N -55.00 -15.00 -35.94 -36.87 -37.48 . . 0 "[ . 1 . 2]"
152 . 1 112 LEU N 1 112 LEU CA 1 112 LEU C 1 113 GLY N -55.00 -15.00 -25.80 -12.38 -43.47 4.16 3 0 "[ . 1 . 2]"
153 . 1 116 VAL N 1 116 VAL CA 1 116 VAL C 1 117 THR N 115.00 155.00 148.43 148.11 147.24 . . 0 "[ . 1 . 2]"
154 . 1 117 THR N 1 117 THR CA 1 117 THR C 1 118 ASP N 115.00 155.00 148.85 136.75 155.12 0.12 15 0 "[ . 1 . 2]"
155 . 1 118 ASP N 1 118 ASP CA 1 118 ASP C 1 119 GLU N -55.00 -15.00 -36.58 -37.69 -38.88 . . 0 "[ . 1 . 2]"
156 . 1 119 GLU N 1 119 GLU CA 1 119 GLU C 1 120 GLU N -55.00 -15.00 -46.84 -50.56 -41.43 . . 0 "[ . 1 . 2]"
157 . 1 120 GLU N 1 120 GLU CA 1 120 GLU C 1 121 ILE N -55.00 -15.00 -33.08 -32.84 -33.23 . . 0 "[ . 1 . 2]"
158 . 1 121 ILE N 1 121 ILE CA 1 121 ILE C 1 122 ASP N -55.00 -15.00 -51.35 -52.93 -48.53 . . 0 "[ . 1 . 2]"
159 . 1 122 ASP N 1 122 ASP CA 1 122 ASP C 1 123 GLU N -55.00 -15.00 -31.07 -31.13 -31.51 . . 0 "[ . 1 . 2]"
160 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C 1 124 MET N -55.00 -15.00 -55.62 -56.42 -55.19 1.42 18 0 "[ . 1 . 2]"
161 . 1 124 MET N 1 124 MET CA 1 124 MET C 1 125 ILE N -55.00 -15.00 -45.91 -50.25 -42.26 . . 0 "[ . 1 . 2]"
162 . 1 125 ILE N 1 125 ILE CA 1 125 ILE C 1 126 ARG N -55.00 -15.00 -57.71 -58.43 -57.20 3.43 8 0 "[ . 1 . 2]"
163 . 1 126 ARG N 1 126 ARG CA 1 126 ARG C 1 127 GLU N -55.00 -15.00 -42.59 -48.90 -38.35 . . 0 "[ . 1 . 2]"
164 . 1 127 GLU N 1 127 GLU CA 1 127 GLU C 1 128 ALA N -55.00 -15.00 -43.68 -42.88 -43.38 . . 0 "[ . 1 . 2]"
165 . 1 133 ASP N 1 133 ASP CA 1 133 ASP C 1 134 GLY N 115.00 155.00 157.79 157.53 157.09 7.46 7 1 "[ . + 1 . 2]"
166 . 1 135 MET N 1 135 MET CA 1 135 MET C 1 136 ILE N 115.00 155.00 154.62 148.12 156.07 1.07 11 0 "[ . 1 . 2]"
167 . 1 136 ILE N 1 136 ILE CA 1 136 ILE C 1 137 ASN N 115.00 155.00 128.30 122.95 133.19 . . 0 "[ . 1 . 2]"
168 . 1 138 TYR N 1 138 TYR CA 1 138 TYR C 1 139 GLU N -55.00 -15.00 -42.99 -42.78 -43.20 . . 0 "[ . 1 . 2]"
169 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C 1 140 GLU N -55.00 -15.00 -43.10 -42.63 -42.80 . . 0 "[ . 1 . 2]"
170 . 1 141 PHE N 1 141 PHE CA 1 141 PHE C 1 142 VAL N -55.00 -15.00 -53.51 -53.90 -54.02 . . 0 "[ . 1 . 2]"
171 . 1 142 VAL N 1 142 VAL CA 1 142 VAL C 1 143 TRP N -55.00 -15.00 -33.87 -31.65 -32.21 . . 0 "[ . 1 . 2]"
172 . 1 143 TRP N 1 143 TRP CA 1 143 TRP C 1 144 MET N -55.00 -15.00 -51.84 -53.77 -50.52 . . 0 "[ . 1 . 2]"
173 . 1 144 MET N 1 144 MET CA 1 144 MET C 1 145 ILE N -55.00 -15.00 -53.95 -56.54 -45.34 1.54 12 0 "[ . 1 . 2]"
174 . 1 145 ILE N 1 145 ILE CA 1 145 ILE C 1 146 SER N -55.00 -15.00 -14.56 -17.87 -13.06 1.94 20 0 "[ . 1 . 2]"
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