NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482819 |
1snj   |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1snj
save_dihedral_constraint_statistics_1
_TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics
_TA_constraint_stats_list.Constraint_count 380
_TA_constraint_stats_list.Viol_count 4560
_TA_constraint_stats_list.Viol_total 3879705.75
_TA_constraint_stats_list.Viol_max 179.96
_TA_constraint_stats_list.Viol_rms 60.30
_TA_constraint_stats_list.Viol_average_all_restraints 70.90
_TA_constraint_stats_list.Viol_average_violations_only 70.90
_TA_constraint_stats_list.Cutoff_violation_report 5.00
_TA_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * ID of the restraint list.
* 3 * Number of restraints in list.
* 4 * Number of violated restraints (each model violation is used).
* 5 * Sum of violations in degrees.
* 6 * Maximum violation of a restraint without averaging in any way.
* 7 * Rms of violations over all restraints.
* 8 * Average violation over all restraints.
* 9 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
Threshold for reporting violations (degrees) in the last columns of the next table.
* 10 * This tag.
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
* 2 * Torsion angle name where available.
* 3 * First atom's:
* 4 * Chain identifier (can be absent if none defined)
* 5 * Residue number
* 6 * Residue name
* 7 * Name of (pseudo-)atom
* 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18.
* 19 * Lower bound (degrees)
* 20 * Upper bound (degrees)
* 21 * Average angle in ensemble of models
* 22 * Minimum angle in ensemble of models (counter clockwise from range)
* 23 * Maximum angle in ensemble of models (clockwise from range)
* 24 * Maximum violation (without any averaging)
* 25 * Model number with the maximum violation
* 26 * Number of models with a violation above cutoff
* 27 * List of models with a violation above cutoff. See description above.
* 28 * Administrative tag
* 29 * Administrative tag
;
loop_
_TA_constraint_stats.Restraint_ID
_TA_constraint_stats.Torsion_angle_name
_TA_constraint_stats.Entity_assembly_ID_1
_TA_constraint_stats.Comp_index_ID_1
_TA_constraint_stats.Comp_ID_1
_TA_constraint_stats.Atom_ID_1
_TA_constraint_stats.Entity_assembly_ID_2
_TA_constraint_stats.Comp_index_ID_2
_TA_constraint_stats.Comp_ID_2
_TA_constraint_stats.Atom_ID_2
_TA_constraint_stats.Entity_assembly_ID_3
_TA_constraint_stats.Comp_index_ID_3
_TA_constraint_stats.Comp_ID_3
_TA_constraint_stats.Atom_ID_3
_TA_constraint_stats.Entity_assembly_ID_4
_TA_constraint_stats.Comp_index_ID_4
_TA_constraint_stats.Comp_ID_4
_TA_constraint_stats.Atom_ID_4
_TA_constraint_stats.Angle_lower_bound_val
_TA_constraint_stats.Angle_upper_bound_val
_TA_constraint_stats.Angle_average
_TA_constraint_stats.Angle_minimum
_TA_constraint_stats.Angle_maximum
_TA_constraint_stats.Max_violation
_TA_constraint_stats.Max_violation_model_number
_TA_constraint_stats.Over_cutoff_violation_count
_TA_constraint_stats.Over_cutoff_violation_per_model
1 . 1 1 DC O3' 1 2 DG P 1 2 DG O5' 1 2 DG C5' 0.00 0.00 -52.46 -60.30 -44.79 60.30 3 12 [**+*-*******]
2 . 1 2 DG O3' 1 3 DT P 1 3 DT O5' 1 3 DT C5' 0.00 0.00 -59.02 -52.87 -55.34 64.96 4 12 [***+***-****]
3 . 1 3 DT O3' 1 4 DG P 1 4 DG O5' 1 4 DG C5' 0.00 0.00 -52.00 -38.53 -46.25 61.61 5 12 [*-**+*******]
4 . 1 4 DG O3' 1 5 DC P 1 5 DC O5' 1 5 DC C5' 0.00 0.00 -69.88 -52.94 -65.01 90.51 5 12 [****+****-**]
5 . 1 5 DC O3' 1 6 DA P 1 6 DA O5' 1 6 DA C5' 0.00 0.00 -60.48 -57.42 -61.56 66.95 9 12 [********+-**]
6 . 1 6 DA O3' 1 7 DG P 1 7 DG O5' 1 7 DG C5' 0.00 0.00 -77.34 -93.26 -65.30 93.26 9 12 [*******-+***]
7 . 1 7 DG O3' 1 8 DC P 1 8 DC O5' 1 8 DC C5' 0.00 0.00 -63.09 -56.39 -59.62 72.71 10 12 [*-*******+**]
8 . 1 8 DC O3' 1 9 DG P 1 9 DG O5' 1 9 DG C5' 0.00 0.00 -56.65 -52.10 -55.79 61.62 9 12 [********+*-*]
9 . 1 9 DG O3' 1 10 DG P 1 10 DG O5' 1 10 DG C5' 0.00 0.00 -76.97 -89.98 -63.70 89.98 8 12 [*******+**-*]
10 . 1 10 DG O3' 1 11 DC P 1 11 DC O5' 1 11 DC C5' 0.00 0.00 -122.93 -126.23 -120.68 126.23 9 12 [********+*-*]
11 . 1 11 DC O3' 1 12 DT P 1 12 DT O5' 1 12 DT C5' 0.00 0.00 -173.16 -173.45 -174.61 175.78 1 12 [+*****-*****]
12 . 1 12 DT O3' 1 13 DT P 1 13 DT O5' 1 13 DT C5' 0.00 0.00 -40.15 -38.83 -39.60 43.66 8 12 [****-**+****]
13 . 1 13 DT O3' 1 14 DG P 1 14 DG O5' 1 14 DG C5' 0.00 0.00 -169.67 -165.11 -170.44 178.63 5 12 [****+**-****]
14 . 1 14 DG O3' 1 15 DC P 1 15 DC O5' 1 15 DC C5' 0.00 0.00 -58.67 -57.49 -58.91 62.20 3 12 [**+******-**]
15 . 1 15 DC O3' 1 16 DC P 1 16 DC O5' 1 16 DC C5' 0.00 0.00 -60.36 -64.30 -57.84 64.30 2 12 [*+-*********]
16 . 1 16 DC O3' 1 17 DG P 1 17 DG O5' 1 17 DG C5' 0.00 0.00 -37.58 -33.77 -34.81 42.97 12 12 [*-*********+]
17 . 1 18 DG O3' 1 19 DC P 1 19 DC O5' 1 19 DC C5' 0.00 0.00 -61.43 -60.51 -65.85 70.30 1 12 [+-**********]
18 . 1 19 DC O3' 1 20 DA P 1 20 DA O5' 1 20 DA C5' 0.00 0.00 -58.41 -58.83 -64.48 87.22 11 12 [*-********+*]
19 . 1 20 DA O3' 1 21 DC P 1 21 DC O5' 1 21 DC C5' 0.00 0.00 -131.54 -141.88 -124.88 141.88 2 12 [*+******-***]
20 . 1 21 DC O3' 1 22 DT P 1 22 DT O5' 1 22 DT C5' 0.00 0.00 -163.78 -163.51 -164.55 166.01 8 12 [*******+**-*]
21 . 1 22 DT O3' 1 23 DT P 1 23 DT O5' 1 23 DT C5' 0.00 0.00 -81.82 -80.44 -82.77 91.47 1 12 [+*****-*****]
22 . 1 23 DT O3' 1 24 DG P 1 24 DG O5' 1 24 DG C5' 0.00 0.00 -178.30 131.79 -155.97 166.98 1 12 [+*********-*]
23 . 1 24 DG O3' 1 25 DT P 1 25 DT O5' 1 25 DT C5' 0.00 0.00 -68.91 -67.30 -68.52 75.73 11 12 [**********+-]
24 . 1 25 DT O3' 1 26 DG P 1 26 DG O5' 1 26 DG C5' 0.00 0.00 -64.76 -58.37 -62.06 84.84 11 12 [*-********+*]
25 . 1 29 DT O3' 1 30 DC P 1 30 DC O5' 1 30 DC C5' 0.00 0.00 -35.40 -52.39 -88.92 97.50 5 10 "[**-*+ * ****]"
26 . 1 30 DC O3' 1 31 DT P 1 31 DT O5' 1 31 DT C5' 0.00 0.00 -90.02 -97.25 -79.66 97.25 9 12 [***-****+***]
27 . 1 31 DT O3' 1 32 DG P 1 32 DG O5' 1 32 DG C5' 0.00 0.00 -63.16 -77.87 -52.43 77.87 9 12 [********+-**]
28 . 1 32 DG O3' 1 33 DC P 1 33 DC O5' 1 33 DC C5' 0.00 0.00 -55.55 -56.72 -59.58 64.29 5 12 [*-**+*******]
29 . 1 33 DC O3' 1 34 DA P 1 34 DA O5' 1 34 DA C5' 0.00 0.00 -61.50 -51.20 -56.07 75.73 5 12 [*-**+*******]
30 . 1 34 DA O3' 1 35 DC P 1 35 DC O5' 1 35 DC C5' 0.00 0.00 -56.53 -52.14 -55.38 62.16 12 12 [*******-***+]
31 . 1 35 DC O3' 1 36 DG P 1 36 DG O5' 1 36 DG C5' 0.00 0.00 -59.04 -57.22 -58.44 62.61 5 12 [****+**-****]
32 . 1 2 DG P 1 2 DG O5' 1 2 DG C5' 1 2 DG C4' 0.00 0.00 177.20 171.63 -176.26 179.91 6 12 [*-***+******]
33 . 1 3 DT P 1 3 DT O5' 1 3 DT C5' 1 3 DT C4' 0.00 0.00 -179.36 170.10 -168.73 179.58 1 12 [+***-*******]
34 . 1 4 DG P 1 4 DG O5' 1 4 DG C5' 1 4 DG C4' 0.00 0.00 168.60 162.73 174.49 174.49 5 12 [****+****-**]
35 . 1 5 DC P 1 5 DC O5' 1 5 DC C5' 1 5 DC C4' 0.00 0.00 -172.50 -172.39 -175.31 175.67 1 12 [+*******-***]
36 . 1 6 DA P 1 6 DA O5' 1 6 DA C5' 1 6 DA C4' 0.00 0.00 175.89 169.78 -175.87 179.25 1 12 [+*********-*]
37 . 1 7 DG P 1 7 DG O5' 1 7 DG C5' 1 7 DG C4' 0.00 0.00 -175.58 -172.10 -175.10 179.26 12 12 [****-******+]
38 . 1 8 DC P 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 0.00 0.00 -178.76 176.37 173.88 178.79 4 12 [***+*******-]
39 . 1 9 DG P 1 9 DG O5' 1 9 DG C5' 1 9 DG C4' 0.00 0.00 170.18 161.18 178.29 178.29 9 12 [********+-**]
40 . 1 10 DG P 1 10 DG O5' 1 10 DG C5' 1 10 DG C4' 0.00 0.00 -177.39 178.35 -174.37 179.67 10 12 [********-+**]
41 . 1 11 DC P 1 11 DC O5' 1 11 DC C5' 1 11 DC C4' 0.00 0.00 76.94 75.55 75.38 87.45 4 12 [***+*-******]
42 . 1 12 DT P 1 12 DT O5' 1 12 DT C5' 1 12 DT C4' 0.00 0.00 171.10 167.20 174.94 174.94 11 12 [**********+-]
43 . 1 13 DT P 1 13 DT O5' 1 13 DT C5' 1 13 DT C4' 0.00 0.00 177.97 179.11 177.01 179.96 10 12 [-********+**]
44 . 1 14 DG P 1 14 DG O5' 1 14 DG C5' 1 14 DG C4' 0.00 0.00 79.45 71.91 85.60 85.60 6 12 [*-***+******]
45 . 1 15 DC P 1 15 DC O5' 1 15 DC C5' 1 15 DC C4' 0.00 0.00 170.01 169.03 166.77 174.32 8 12 [*******+**-*]
46 . 1 16 DC P 1 16 DC O5' 1 16 DC C5' 1 16 DC C4' 0.00 0.00 -165.06 -158.78 -164.69 172.08 5 12 [*-**+*******]
47 . 1 17 DG P 1 17 DG O5' 1 17 DG C5' 1 17 DG C4' 0.00 0.00 174.88 179.08 177.41 179.54 11 12 [**********+-]
48 . 1 19 DC P 1 19 DC O5' 1 19 DC C5' 1 19 DC C4' 0.00 0.00 -174.05 175.85 -161.45 178.94 12 12 [**********-+]
49 . 1 20 DA P 1 20 DA O5' 1 20 DA C5' 1 20 DA C4' 0.00 0.00 173.57 167.53 -170.89 178.59 12 12 [*-*********+]
50 . 1 21 DC P 1 21 DC O5' 1 21 DC C5' 1 21 DC C4' 0.00 0.00 87.80 93.03 90.83 93.03 2 12 [*+*********-]
51 . 1 22 DT P 1 22 DT O5' 1 22 DT C5' 1 22 DT C4' 0.00 0.00 173.33 150.70 -176.56 179.93 3 12 [**+*******-*]
52 . 1 23 DT P 1 23 DT O5' 1 23 DT C5' 1 23 DT C4' 0.00 0.00 -138.17 -119.70 -130.57 163.95 7 12 [******+***-*]
53 . 1 24 DG P 1 24 DG O5' 1 24 DG C5' 1 24 DG C4' 0.00 0.00 98.77 133.05 98.17 136.03 11 12 [********-*+*]
54 . 1 25 DT P 1 25 DT O5' 1 25 DT C5' 1 25 DT C4' 0.00 0.00 173.88 177.34 175.49 177.89 10 12 [*********+*-]
55 . 1 26 DG P 1 26 DG O5' 1 26 DG C5' 1 26 DG C4' 0.00 0.00 174.78 178.12 175.59 178.21 2 12 [-+**********]
56 . 1 30 DC P 1 30 DC O5' 1 30 DC C5' 1 30 DC C4' 0.00 0.00 -109.96 -132.90 -96.29 132.90 6 12 [*****+***-**]
57 . 1 31 DT P 1 31 DT O5' 1 31 DT C5' 1 31 DT C4' 0.00 0.00 -161.15 -175.88 -148.42 175.88 10 12 [****-****+**]
58 . 1 32 DG P 1 32 DG O5' 1 32 DG C5' 1 32 DG C4' 0.00 0.00 173.35 169.24 177.13 177.13 5 12 [****+*-*****]
59 . 1 33 DC P 1 33 DC O5' 1 33 DC C5' 1 33 DC C4' 0.00 0.00 173.23 166.84 -176.80 177.41 9 12 [********+*-*]
60 . 1 34 DA P 1 34 DA O5' 1 34 DA C5' 1 34 DA C4' 0.00 0.00 177.71 170.01 -177.41 178.70 1 12 [+*********-*]
61 . 1 35 DC P 1 35 DC O5' 1 35 DC C5' 1 35 DC C4' 0.00 0.00 172.59 164.02 177.92 177.92 8 12 [*******+*-**]
62 . 1 36 DG P 1 36 DG O5' 1 36 DG C5' 1 36 DG C4' 0.00 0.00 -175.21 175.65 -166.27 179.81 3 12 [**+*-*******]
63 . 1 1 DC O4' 1 1 DC C1' 1 1 DC N1 1 1 DC C2 0.00 0.00 -126.27 -131.12 -121.27 131.12 8 12 [*******+*-**]
64 . 1 2 DG O4' 1 2 DG C1' 1 2 DG N9 1 2 DG C4 0.00 0.00 -105.67 -114.42 -97.75 114.42 5 12 [****+****-**]
65 . 1 3 DT O4' 1 3 DT C1' 1 3 DT N1 1 3 DT C2 0.00 0.00 -101.88 -102.77 -102.80 104.27 6 12 [*****+*****-]
66 . 1 4 DG O4' 1 4 DG C1' 1 4 DG N9 1 4 DG C4 0.00 0.00 -107.53 -110.80 -105.16 110.80 3 12 [**+*******-*]
67 . 1 5 DC O4' 1 5 DC C1' 1 5 DC N1 1 5 DC C2 0.00 0.00 -127.55 -124.50 -126.07 133.87 5 12 [****+****-**]
68 . 1 6 DA O4' 1 6 DA C1' 1 6 DA N1 1 6 DA C2 0.00 0.00 -92.69 -95.02 -90.98 95.02 8 12 [*******+**-*]
69 . 1 7 DG O4' 1 7 DG C1' 1 7 DG N1 1 7 DG C2 0.00 0.00 -87.03 -84.68 -86.02 93.40 8 12 [*******+-***]
70 . 1 8 DC O4' 1 8 DC C1' 1 8 DC N1 1 8 DC C2 0.00 0.00 -121.55 -120.47 -122.33 127.63 4 12 [***+*****-**]
71 . 1 9 DG O4' 1 9 DG C1' 1 9 DG N1 1 9 DG C2 0.00 0.00 -90.67 -92.13 -92.63 92.91 4 12 [***+****-***]
72 . 1 10 DG O4' 1 10 DG C1' 1 10 DG N9 1 10 DG C4 0.00 0.00 -107.44 -110.53 -105.14 110.53 2 12 [*+**-*******]
73 . 1 11 DC O4' 1 11 DC C1' 1 11 DC N1 1 11 DC C2 0.00 0.00 -142.58 -147.36 -137.09 147.36 9 12 [-*******+***]
74 . 1 12 DT O4' 1 12 DT C1' 1 12 DT N1 1 12 DT C2 0.00 0.00 -148.95 -145.75 -148.54 151.95 3 12 [*-+*********]
75 . 1 13 DT O4' 1 13 DT C1' 1 13 DT N1 1 13 DT C2 0.00 0.00 -139.86 -142.27 -136.92 142.27 5 12 [****+**-****]
76 . 1 14 DG O4' 1 14 DG C1' 1 14 DG N9 1 14 DG C4 0.00 0.00 -100.87 -99.02 -101.01 104.37 6 12 [*****+*-****]
77 . 1 15 DC O4' 1 15 DC C1' 1 15 DC N1 1 15 DC C2 0.00 0.00 -105.48 -110.36 -93.26 110.36 10 12 [********-+**]
78 . 1 16 DC O4' 1 16 DC C1' 1 16 DC N1 1 16 DC C2 0.00 0.00 -108.90 -106.62 -108.64 112.02 4 12 [*-*+********]
79 . 1 17 DG O4' 1 17 DG C1' 1 17 DG N1 1 17 DG C2 0.00 0.00 -101.25 -102.31 -104.24 106.97 5 12 [****+***-***]
80 . 1 19 DC O4' 1 19 DC C1' 1 19 DC N1 1 19 DC C2 0.00 0.00 -110.45 -110.03 -110.84 116.71 12 12 [**********-+]
81 . 1 20 DA O4' 1 20 DA C1' 1 20 DA N9 1 20 DA C4 0.00 0.00 -100.50 -97.50 -99.14 108.23 8 12 [*******+**-*]
82 . 1 21 DC O4' 1 21 DC C1' 1 21 DC N1 1 21 DC C2 0.00 0.00 -130.07 -131.70 -128.14 131.70 8 12 [*******+-***]
83 . 1 22 DT O4' 1 22 DT C1' 1 22 DT N1 1 22 DT C2 0.00 0.00 -115.45 -58.98 -129.51 133.72 9 12 [********+*-*]
84 . 1 23 DT O4' 1 23 DT C1' 1 23 DT N1 1 23 DT C2 0.00 0.00 -146.34 -144.26 -145.24 148.28 12 12 [*-*********+]
85 . 1 24 DG O4' 1 24 DG C1' 1 24 DG N9 1 24 DG C4 0.00 0.00 -84.24 -85.35 -87.09 95.10 5 12 [****+******-]
86 . 1 25 DT O4' 1 25 DT C1' 1 25 DT N1 1 25 DT C2 0.00 0.00 -102.64 -108.54 -67.42 108.54 10 12 [*********+-*]
87 . 1 26 DG O4' 1 26 DG C1' 1 26 DG N1 1 26 DG C2 0.00 0.00 -88.14 -83.26 -85.98 92.30 12 12 [*-*********+]
88 . 1 30 DC O4' 1 30 DC C1' 1 30 DC N1 1 30 DC C2 0.00 0.00 -146.74 -145.16 -147.91 156.74 5 12 [**-*+*******]
89 . 1 31 DT O4' 1 31 DT C1' 1 31 DT N1 1 31 DT C2 0.00 0.00 -105.98 -112.19 -103.08 112.19 2 12 [*+******-***]
90 . 1 32 DG O4' 1 32 DG C1' 1 32 DG N9 1 32 DG C4 0.00 0.00 -109.65 -111.62 -111.99 113.63 3 12 [**+*******-*]
91 . 1 33 DC O4' 1 33 DC C1' 1 33 DC N1 1 33 DC C2 0.00 0.00 -121.05 -124.41 -118.50 124.41 2 12 [*+****-*****]
92 . 1 34 DA O4' 1 34 DA C1' 1 34 DA N9 1 34 DA C4 0.00 0.00 -111.93 -110.19 -111.15 113.65 11 12 [******-***+*]
93 . 1 35 DC O4' 1 35 DC C1' 1 35 DC N1 1 35 DC C2 0.00 0.00 -115.69 -110.10 -112.52 122.79 5 12 [*-**+*******]
94 . 1 36 DG O4' 1 36 DG C1' 1 36 DG N9 1 36 DG C4 0.00 0.00 -116.14 -119.72 -111.15 119.72 3 12 [**+****-****]
95 . 1 1 DC C5' 1 1 DC C4' 1 1 DC C3' 1 1 DC O3' 0.00 0.00 126.44 123.94 130.84 130.84 5 12 [*-**+*******]
96 . 1 2 DG C5' 1 2 DG C4' 1 2 DG C3' 1 2 DG O3' 0.00 0.00 124.13 121.14 126.43 126.43 1 12 [+-**********]
97 . 1 3 DT C5' 1 3 DT C4' 1 3 DT C3' 1 3 DT O3' 0.00 0.00 121.08 119.18 122.81 122.81 4 12 [***+*****-**]
98 . 1 4 DG C5' 1 4 DG C4' 1 4 DG C3' 1 4 DG O3' 0.00 0.00 126.98 129.68 127.68 129.93 2 12 [*+**-*******]
99 . 1 5 DC C5' 1 5 DC C4' 1 5 DC C3' 1 5 DC O3' 0.00 0.00 118.75 120.17 119.76 122.42 10 12 [****-****+**]
100 . 1 6 DA C5' 1 6 DA C4' 1 6 DA C3' 1 6 DA O3' 0.00 0.00 120.50 123.17 121.65 123.17 2 12 [*+**-*******]
101 . 1 7 DG C5' 1 7 DG C4' 1 7 DG C3' 1 7 DG O3' 0.00 0.00 130.14 124.48 137.15 137.15 12 12 [********-**+]
102 . 1 8 DC C5' 1 8 DC C4' 1 8 DC C3' 1 8 DC O3' 0.00 0.00 116.27 113.79 118.32 118.32 9 12 [********+-**]
103 . 1 9 DG C5' 1 9 DG C4' 1 9 DG C3' 1 9 DG O3' 0.00 0.00 118.46 116.35 120.55 120.55 7 12 [**-***+*****]
104 . 1 10 DG C5' 1 10 DG C4' 1 10 DG C3' 1 10 DG O3' 0.00 0.00 123.87 122.13 127.62 127.62 11 12 [*-********+*]
105 . 1 11 DC C5' 1 11 DC C4' 1 11 DC C3' 1 11 DC O3' 0.00 0.00 136.68 134.80 139.52 139.52 9 12 [******-*+***]
106 . 1 12 DT C5' 1 12 DT C4' 1 12 DT C3' 1 12 DT O3' 0.00 0.00 134.15 132.31 135.46 135.46 5 12 [****+*****-*]
107 . 1 13 DT C5' 1 13 DT C4' 1 13 DT C3' 1 13 DT O3' 0.00 0.00 136.14 136.76 135.42 139.49 9 12 [*******-+***]
108 . 1 14 DG C5' 1 14 DG C4' 1 14 DG C3' 1 14 DG O3' 0.00 0.00 127.44 125.09 128.74 128.74 8 12 [*******+-***]
109 . 1 15 DC C5' 1 15 DC C4' 1 15 DC C3' 1 15 DC O3' 0.00 0.00 118.41 117.93 117.88 120.87 9 12 [****-***+***]
110 . 1 16 DC C5' 1 16 DC C4' 1 16 DC C3' 1 16 DC O3' 0.00 0.00 122.04 120.98 125.14 125.14 11 12 [**********+-]
111 . 1 17 DG C5' 1 17 DG C4' 1 17 DG C3' 1 17 DG O3' 0.00 0.00 129.23 133.16 128.62 139.27 9 12 [***-****+***]
112 . 1 19 DC C5' 1 19 DC C4' 1 19 DC C3' 1 19 DC O3' 0.00 0.00 121.00 121.33 120.51 125.79 9 12 [********+**-]
113 . 1 20 DA C5' 1 20 DA C4' 1 20 DA C3' 1 20 DA O3' 0.00 0.00 125.07 126.15 125.77 126.61 11 12 [**********+-]
114 . 1 21 DC C5' 1 21 DC C4' 1 21 DC C3' 1 21 DC O3' 0.00 0.00 142.79 142.76 141.90 144.86 4 12 [***+******-*]
115 . 1 22 DT C5' 1 22 DT C4' 1 22 DT C3' 1 22 DT O3' 0.00 0.00 134.74 124.28 139.61 139.61 10 12 [******-**+**]
116 . 1 23 DT C5' 1 23 DT C4' 1 23 DT C3' 1 23 DT O3' 0.00 0.00 115.23 117.17 115.83 117.21 2 12 [*+***-******]
117 . 1 24 DG C5' 1 24 DG C4' 1 24 DG C3' 1 24 DG O3' 0.00 0.00 134.18 134.56 132.31 147.77 11 12 [******-***+*]
118 . 1 25 DT C5' 1 25 DT C4' 1 25 DT C3' 1 25 DT O3' 0.00 0.00 117.69 115.72 126.92 126.92 11 12 [****-*****+*]
119 . 1 26 DG C5' 1 26 DG C4' 1 26 DG C3' 1 26 DG O3' 0.00 0.00 122.95 125.17 124.20 125.17 2 12 [*+**-*******]
120 . 1 30 DC C5' 1 30 DC C4' 1 30 DC C3' 1 30 DC O3' 0.00 0.00 122.20 121.63 120.55 126.86 11 12 [-*********+*]
121 . 1 31 DT C5' 1 31 DT C4' 1 31 DT C3' 1 31 DT O3' 0.00 0.00 119.52 117.15 123.58 123.58 9 12 [*-******+***]
122 . 1 32 DG C5' 1 32 DG C4' 1 32 DG C3' 1 32 DG O3' 0.00 0.00 121.28 119.79 122.49 122.49 1 12 [+*********-*]
123 . 1 33 DC C5' 1 33 DC C4' 1 33 DC C3' 1 33 DC O3' 0.00 0.00 122.04 120.55 123.33 123.33 1 12 [+***-*******]
124 . 1 34 DA C5' 1 34 DA C4' 1 34 DA C3' 1 34 DA O3' 0.00 0.00 123.25 127.41 124.77 127.41 2 12 [*+**-*******]
125 . 1 35 DC C5' 1 35 DC C4' 1 35 DC C3' 1 35 DC O3' 0.00 0.00 119.91 119.43 119.00 123.37 8 12 [*****-*+****]
126 . 1 36 DG C5' 1 36 DG C4' 1 36 DG C3' 1 36 DG O3' 0.00 0.00 123.63 122.55 124.90 124.90 8 12 [****-**+****]
127 . 1 1 DC C4' 1 1 DC C3' 1 1 DC O3' 1 2 DG P 0.00 0.00 -163.48 -157.88 -161.60 169.05 5 12 [*-**+*******]
128 . 1 2 DG C4' 1 2 DG C3' 1 2 DG O3' 1 3 DT P 0.00 0.00 -174.33 -179.41 -170.30 179.41 8 12 [*******+*-**]
129 . 1 3 DT C4' 1 3 DT C3' 1 3 DT O3' 1 4 DG P 0.00 0.00 -170.85 -175.57 -163.63 175.57 2 12 [*+*********-]
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142 . 1 16 DC C4' 1 16 DC C3' 1 16 DC O3' 1 17 DG P 0.00 0.00 170.60 160.31 179.37 179.37 4 12 [*-*+********]
143 . 1 17 DG C4' 1 17 DG C3' 1 17 DG O3' 1 18 DG P 0.00 0.00 -173.75 -150.92 -161.58 176.29 1 12 [+**-********]
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148 . 1 23 DT C4' 1 23 DT C3' 1 23 DT O3' 1 24 DG P 0.00 0.00 -57.70 -61.50 -62.14 64.52 7 12 [******+****-]
149 . 1 24 DG C4' 1 24 DG C3' 1 24 DG O3' 1 25 DT P 0.00 0.00 -178.32 169.32 -169.64 179.38 2 12 [*+*********-]
150 . 1 25 DT C4' 1 25 DT C3' 1 25 DT O3' 1 26 DG P 0.00 0.00 -171.02 -175.01 -166.78 175.01 2 12 [*+********-*]
151 . 1 26 DG C4' 1 26 DG C3' 1 26 DG O3' 1 27 DC P 0.00 0.00 -167.89 -164.98 -166.13 170.98 5 12 [*-**+*******]
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153 . 1 31 DT C4' 1 31 DT C3' 1 31 DT O3' 1 32 DG P 0.00 0.00 -168.67 -168.51 -169.56 172.98 7 12 [******+***-*]
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155 . 1 33 DC C4' 1 33 DC C3' 1 33 DC O3' 1 34 DA P 0.00 0.00 -165.90 -171.61 -161.98 171.61 2 12 [*+*********-]
156 . 1 34 DA C4' 1 34 DA C3' 1 34 DA O3' 1 35 DC P 0.00 0.00 -174.34 174.83 -166.30 178.67 11 12 [*********-+*]
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158 . 1 1 DC O5' 1 1 DC C5' 1 1 DC C4' 1 1 DC C3' 0.00 0.00 52.03 55.78 53.75 55.78 2 12 [*+**-*******]
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160 . 1 3 DT O5' 1 3 DT C5' 1 3 DT C4' 1 3 DT C3' 0.00 0.00 46.45 50.35 49.44 56.07 10 12 [****-****+**]
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162 . 1 5 DC O5' 1 5 DC C5' 1 5 DC C4' 1 5 DC C3' 0.00 0.00 56.52 45.57 66.05 66.05 5 12 [*-**+*******]
163 . 1 6 DA O5' 1 6 DA C5' 1 6 DA C4' 1 6 DA C3' 0.00 0.00 63.85 64.45 61.91 67.16 9 12 [********+-**]
164 . 1 7 DG O5' 1 7 DG C5' 1 7 DG C4' 1 7 DG C3' 0.00 0.00 50.57 51.01 49.90 54.82 7 12 [****-*+*****]
165 . 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 1 8 DC C3' 0.00 0.00 59.18 49.02 66.76 66.76 10 12 [******-**+**]
166 . 1 9 DG O5' 1 9 DG C5' 1 9 DG C4' 1 9 DG C3' 0.00 0.00 66.94 68.36 67.29 69.13 10 12 [********-+**]
167 . 1 10 DG O5' 1 10 DG C5' 1 10 DG C4' 1 10 DG C3' 0.00 0.00 56.28 54.05 52.77 65.59 8 12 [*****-*+****]
168 . 1 11 DC O5' 1 11 DC C5' 1 11 DC C4' 1 11 DC C3' 0.00 0.00 167.69 172.18 169.64 172.18 2 12 [*+*-********]
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170 . 1 13 DT O5' 1 13 DT C5' 1 13 DT C4' 1 13 DT C3' 0.00 0.00 60.29 55.92 62.71 62.71 11 12 [*********-+*]
171 . 1 14 DG O5' 1 14 DG C5' 1 14 DG C4' 1 14 DG C3' 0.00 0.00 126.25 134.39 129.30 137.73 2 12 [*+***-******]
172 . 1 15 DC O5' 1 15 DC C5' 1 15 DC C4' 1 15 DC C3' 0.00 0.00 52.52 44.48 62.24 62.24 11 12 [********-*+*]
173 . 1 16 DC O5' 1 16 DC C5' 1 16 DC C4' 1 16 DC C3' 0.00 0.00 42.00 35.76 48.84 48.84 11 12 [*-********+*]
174 . 1 17 DG O5' 1 17 DG C5' 1 17 DG C4' 1 17 DG C3' 0.00 0.00 46.66 40.02 52.82 52.82 12 12 [***-*******+]
175 . 1 19 DC O5' 1 19 DC C5' 1 19 DC C4' 1 19 DC C3' 0.00 0.00 52.50 45.64 58.07 58.07 12 12 [********-**+]
176 . 1 20 DA O5' 1 20 DA C5' 1 20 DA C4' 1 20 DA C3' 0.00 0.00 53.96 52.25 56.65 56.65 1 12 [+***-*******]
177 . 1 21 DC O5' 1 21 DC C5' 1 21 DC C4' 1 21 DC C3' 0.00 0.00 158.39 156.99 156.75 161.03 12 12 [********-**+]
178 . 1 22 DT O5' 1 22 DT C5' 1 22 DT C4' 1 22 DT C3' 0.00 0.00 52.33 55.84 53.98 57.40 11 12 [*******-**+*]
179 . 1 23 DT O5' 1 23 DT C5' 1 23 DT C4' 1 23 DT C3' 0.00 0.00 65.91 56.02 69.02 69.02 8 12 [******-+****]
180 . 1 24 DG O5' 1 24 DG C5' 1 24 DG C4' 1 24 DG C3' 0.00 0.00 133.87 124.66 119.46 160.04 12 12 [-**********+]
181 . 1 25 DT O5' 1 25 DT C5' 1 25 DT C4' 1 25 DT C3' 0.00 0.00 62.40 53.10 66.09 66.09 9 12 [********+*-*]
182 . 1 26 DG O5' 1 26 DG C5' 1 26 DG C4' 1 26 DG C3' 0.00 0.00 52.97 44.95 58.13 58.13 1 12 [+-**********]
183 . 1 30 DC O5' 1 30 DC C5' 1 30 DC C4' 1 30 DC C3' 0.00 0.00 33.88 29.50 15.64 66.09 11 9 "[ ***.- ***+*]"
184 . 1 31 DT O5' 1 31 DT C5' 1 31 DT C4' 1 31 DT C3' 0.00 0.00 52.91 65.98 58.09 65.98 2 12 [*+**-*******]
185 . 1 32 DG O5' 1 32 DG C5' 1 32 DG C4' 1 32 DG C3' 0.00 0.00 53.17 58.79 54.81 63.08 9 12 [********+*-*]
186 . 1 33 DC O5' 1 33 DC C5' 1 33 DC C4' 1 33 DC C3' 0.00 0.00 57.07 53.11 59.70 59.70 8 12 [****-**+****]
187 . 1 34 DA O5' 1 34 DA C5' 1 34 DA C4' 1 34 DA C3' 0.00 0.00 52.99 45.82 59.00 59.00 12 12 [*-*********+]
188 . 1 35 DC O5' 1 35 DC C5' 1 35 DC C4' 1 35 DC C3' 0.00 0.00 57.20 46.00 64.13 64.13 10 12 [*******-*+**]
189 . 1 36 DG O5' 1 36 DG C5' 1 36 DG C4' 1 36 DG C3' 0.00 0.00 48.67 50.05 48.82 56.44 10 12 [****-****+**]
190 . 1 1 DC C3' 1 1 DC O3' 1 2 DG P 1 2 DG O5' 0.00 0.00 -100.20 -102.82 -104.38 104.67 7 12 [**-***+*****]
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192 . 1 3 DT C3' 1 3 DT O3' 1 4 DG P 1 4 DG O5' 0.00 0.00 -100.89 -106.69 -88.91 106.69 12 12 [****-******+]
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195 . 1 6 DA C3' 1 6 DA O3' 1 7 DG P 1 7 DG O5' 0.00 0.00 -85.26 -82.89 -83.80 90.30 12 12 [********-**+]
196 . 1 7 DG C3' 1 7 DG O3' 1 8 DC P 1 8 DC O5' 0.00 0.00 -112.15 -113.53 -118.03 120.49 9 12 [********+-**]
197 . 1 8 DC C3' 1 8 DC O3' 1 9 DG P 1 9 DG O5' 0.00 0.00 -96.76 -100.23 -95.14 100.23 2 12 [*+*********-]
198 . 1 9 DG C3' 1 9 DG O3' 1 10 DG P 1 10 DG O5' 0.00 0.00 -93.75 -89.55 -92.23 104.43 11 12 [******-***+*]
199 . 1 10 DG C3' 1 10 DG O3' 1 11 DC P 1 11 DC O5' 0.00 0.00 -50.11 -50.32 -51.36 56.74 4 12 [***+***-****]
200 . 1 11 DC C3' 1 11 DC O3' 1 12 DT P 1 12 DT O5' 0.00 0.00 -89.59 -93.30 -86.58 93.30 4 12 [***+*-******]
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202 . 1 13 DT C3' 1 13 DT O3' 1 14 DG P 1 14 DG O5' 0.00 0.00 141.47 136.64 144.11 144.11 1 12 [+-**********]
203 . 1 14 DG C3' 1 14 DG O3' 1 15 DC P 1 15 DC O5' 0.00 0.00 -93.83 -99.86 -88.98 99.86 8 12 [*******+**-*]
204 . 1 15 DC C3' 1 15 DC O3' 1 16 DC P 1 16 DC O5' 0.00 0.00 -91.97 -90.19 -91.84 94.94 5 12 [*-**+*******]
205 . 1 16 DC C3' 1 16 DC O3' 1 17 DG P 1 17 DG O5' 0.00 0.00 -101.97 -95.29 -97.77 107.54 12 12 [********-**+]
206 . 1 17 DG C3' 1 17 DG O3' 1 18 DG P 1 18 DG O5' 0.00 0.00 -103.11 -44.89 -108.98 149.25 1 12 [+*********-*]
207 . 1 19 DC C3' 1 19 DC O3' 1 20 DA P 1 20 DA O5' 0.00 0.00 -98.75 -104.22 -85.60 104.22 4 12 [***+******-*]
208 . 1 20 DA C3' 1 20 DA O3' 1 21 DC P 1 21 DC O5' 0.00 0.00 -52.43 -52.96 -54.32 58.10 4 12 [***+******-*]
209 . 1 21 DC C3' 1 21 DC O3' 1 22 DT P 1 22 DT O5' 0.00 0.00 -96.04 -91.34 -96.85 100.57 5 12 [****+*****-*]
210 . 1 22 DT C3' 1 22 DT O3' 1 23 DT P 1 23 DT O5' 0.00 0.00 -73.54 -96.12 -66.81 96.12 7 12 [******+***-*]
211 . 1 23 DT C3' 1 23 DT O3' 1 24 DG P 1 24 DG O5' 0.00 0.00 116.93 73.96 137.13 137.13 9 12 [********+**-]
212 . 1 24 DG C3' 1 24 DG O3' 1 25 DT P 1 25 DT O5' 0.00 0.00 -110.08 -108.40 -109.98 113.76 1 12 [+-**********]
213 . 1 25 DT C3' 1 25 DT O3' 1 26 DG P 1 26 DG O5' 0.00 0.00 -100.03 -105.51 -91.44 105.51 12 12 [****-******+]
214 . 1 26 DG C3' 1 26 DG O3' 1 27 DC P 1 27 DC O5' 0.00 0.00 -118.09 -78.55 -100.68 141.26 10 12 [********-+**]
215 . 1 30 DC C3' 1 30 DC O3' 1 31 DT P 1 31 DT O5' 0.00 0.00 -77.16 -92.13 -65.30 92.13 4 12 [***+*-******]
216 . 1 31 DT C3' 1 31 DT O3' 1 32 DG P 1 32 DG O5' 0.00 0.00 -100.84 -97.71 -99.97 102.64 11 12 [*-********+*]
217 . 1 32 DG C3' 1 32 DG O3' 1 33 DC P 1 33 DC O5' 0.00 0.00 -107.63 -115.54 -97.37 115.54 10 12 [********-+**]
218 . 1 33 DC C3' 1 33 DC O3' 1 34 DA P 1 34 DA O5' 0.00 0.00 -114.41 -113.49 -116.35 120.46 9 12 [******-*+***]
219 . 1 34 DA C3' 1 34 DA O3' 1 35 DC P 1 35 DC O5' 0.00 0.00 -96.40 -104.06 -88.42 104.06 10 12 [-********+**]
220 . 1 35 DC C3' 1 35 DC O3' 1 36 DG P 1 36 DG O5' 0.00 0.00 -95.88 -103.48 -90.17 103.48 2 12 [*+**-*******]
221 . 1 1 DC C4' 1 1 DC O4' 1 1 DC C1' 1 1 DC C2' 0.00 0.00 -3.56 -5.70 -1.38 5.70 11 2 "[ . - 1+ ]"
222 . 1 2 DG C4' 1 2 DG O4' 1 2 DG C1' 1 2 DG C2' 0.00 0.00 -16.65 -19.46 -12.40 19.46 5 12 [****+*-*****]
223 . 1 3 DT C4' 1 3 DT O4' 1 3 DT C1' 1 3 DT C2' 0.00 0.00 -18.14 -19.90 -16.80 19.90 6 12 [*****+***-**]
224 . 1 4 DG C4' 1 4 DG O4' 1 4 DG C1' 1 4 DG C2' 0.00 0.00 -22.81 -23.76 -23.88 23.91 1 12 [+*********-*]
225 . 1 5 DC C4' 1 5 DC O4' 1 5 DC C1' 1 5 DC C2' 0.00 0.00 -13.89 -9.59 -12.36 17.09 5 12 [*-**+*******]
226 . 1 6 DA C4' 1 6 DA O4' 1 6 DA C1' 1 6 DA C2' 0.00 0.00 -21.23 -22.83 -18.77 22.83 5 12 [****+****-**]
227 . 1 7 DG C4' 1 7 DG O4' 1 7 DG C1' 1 7 DG C2' 0.00 0.00 -24.67 -23.17 -23.90 26.98 6 12 [*****+**-***]
228 . 1 8 DC C4' 1 8 DC O4' 1 8 DC C1' 1 8 DC C2' 0.00 0.00 -12.11 -10.31 -11.81 13.79 11 12 [********-*+*]
229 . 1 9 DG C4' 1 9 DG O4' 1 9 DG C1' 1 9 DG C2' 0.00 0.00 -16.99 -19.62 -14.38 19.62 8 12 [****-**+****]
230 . 1 10 DG C4' 1 10 DG O4' 1 10 DG C1' 1 10 DG C2' 0.00 0.00 -15.80 -18.38 -10.86 18.38 2 12 [*+********-*]
231 . 1 11 DC C4' 1 11 DC O4' 1 11 DC C1' 1 11 DC C2' 0.00 0.00 -18.30 -19.42 -15.83 19.42 6 12 [*****+**-***]
232 . 1 12 DT C4' 1 12 DT O4' 1 12 DT C1' 1 12 DT C2' 0.00 0.00 -8.09 -9.42 -10.19 10.65 11 12 [**-*******+*]
233 . 1 13 DT C4' 1 13 DT O4' 1 13 DT C1' 1 13 DT C2' 0.00 0.00 -12.09 -13.06 -11.08 13.06 4 12 [***+*-******]
234 . 1 14 DG C4' 1 14 DG O4' 1 14 DG C1' 1 14 DG C2' 0.00 0.00 3.42 -3.46 9.65 9.65 5 6 "[* - +* 1**]"
235 . 1 15 DC C4' 1 15 DC O4' 1 15 DC C1' 1 15 DC C2' 0.00 0.00 -16.25 -16.87 -16.91 19.69 11 12 [**********+-]
236 . 1 16 DC C4' 1 16 DC O4' 1 16 DC C1' 1 16 DC C2' 0.00 0.00 -9.52 -6.37 -8.85 13.73 11 11 "[* ******-*+*]"
237 . 1 17 DG C4' 1 17 DG O4' 1 17 DG C1' 1 17 DG C2' 0.00 0.00 -17.36 -15.70 -17.17 20.67 6 12 [*-***+******]
238 . 1 19 DC C4' 1 19 DC O4' 1 19 DC C1' 1 19 DC C2' 0.00 0.00 -9.29 -9.03 -10.02 12.13 12 11 "[******** *-+]"
239 . 1 20 DA C4' 1 20 DA O4' 1 20 DA C1' 1 20 DA C2' 0.00 0.00 -17.30 -19.08 -14.96 19.08 7 12 [******+***-*]
240 . 1 21 DC C4' 1 21 DC O4' 1 21 DC C1' 1 21 DC C2' 0.00 0.00 -13.80 -13.75 -13.99 14.62 11 12 [***-******+*]
241 . 1 22 DT C4' 1 22 DT O4' 1 22 DT C1' 1 22 DT C2' 0.00 0.00 -13.18 -27.76 -7.97 27.76 11 12 [**-*******+*]
242 . 1 23 DT C4' 1 23 DT O4' 1 23 DT C1' 1 23 DT C2' 0.00 0.00 -7.30 -5.72 -7.06 9.15 6 12 [*****+-*****]
243 . 1 24 DG C4' 1 24 DG O4' 1 24 DG C1' 1 24 DG C2' 0.00 0.00 -8.18 0.52 -5.30 12.81 9 11 "[* ***-**+***]"
244 . 1 25 DT C4' 1 25 DT O4' 1 25 DT C1' 1 25 DT C2' 0.00 0.00 -14.15 -13.16 -13.67 15.19 8 12 [*******+**-*]
245 . 1 26 DG C4' 1 26 DG O4' 1 26 DG C1' 1 26 DG C2' 0.00 0.00 -12.58 -9.72 -11.39 15.89 7 12 [******+***-*]
246 . 1 30 DC C4' 1 30 DC O4' 1 30 DC C1' 1 30 DC C2' 0.00 0.00 -11.96 -8.62 -10.98 17.01 5 12 [****+**-****]
247 . 1 31 DT C4' 1 31 DT O4' 1 31 DT C1' 1 31 DT C2' 0.00 0.00 -12.54 -13.82 -14.05 14.86 5 12 [****+***-***]
248 . 1 32 DG C4' 1 32 DG O4' 1 32 DG C1' 1 32 DG C2' 0.00 0.00 -15.46 -15.93 -16.43 18.92 10 12 [*********+-*]
249 . 1 33 DC C4' 1 33 DC O4' 1 33 DC C1' 1 33 DC C2' 0.00 0.00 -17.73 -18.21 -18.59 19.92 6 12 [*****+*****-]
250 . 1 34 DA C4' 1 34 DA O4' 1 34 DA C1' 1 34 DA C2' 0.00 0.00 -8.50 -14.58 -3.96 14.58 8 8 "[ *-****+ 1* ]"
251 . 1 35 DC C4' 1 35 DC O4' 1 35 DC C1' 1 35 DC C2' 0.00 0.00 -14.82 -14.09 -15.06 18.46 5 12 [****+****-**]
252 . 1 36 DG C4' 1 36 DG O4' 1 36 DG C1' 1 36 DG C2' 0.00 0.00 -14.57 -12.60 -13.83 17.33 5 12 [*-**+*******]
253 . 1 1 DC O4' 1 1 DC C1' 1 1 DC C2' 1 1 DC C3' 0.00 0.00 8.41 8.35 7.89 11.39 5 12 [****+****-**]
254 . 1 2 DG O4' 1 2 DG C1' 1 2 DG C2' 1 2 DG C3' 0.00 0.00 20.07 16.51 23.77 23.77 5 12 [****+*-*****]
255 . 1 3 DT O4' 1 3 DT C1' 1 3 DT C2' 1 3 DT C3' 0.00 0.00 20.63 20.63 20.42 23.12 6 12 [*****+***-**]
256 . 1 4 DG O4' 1 4 DG C1' 1 4 DG C2' 1 4 DG C3' 0.00 0.00 27.49 30.15 28.67 30.15 2 12 [*+********-*]
257 . 1 5 DC O4' 1 5 DC C1' 1 5 DC C2' 1 5 DC C3' 0.00 0.00 15.18 11.72 17.00 17.00 5 12 [*-**+*******]
258 . 1 6 DA O4' 1 6 DA C1' 1 6 DA C2' 1 6 DA C3' 0.00 0.00 23.39 25.34 24.84 25.34 2 12 [*+********-*]
259 . 1 7 DG O4' 1 7 DG C1' 1 7 DG C2' 1 7 DG C3' 0.00 0.00 31.34 26.19 35.29 35.29 12 12 [********-**+]
260 . 1 8 DC O4' 1 8 DC C1' 1 8 DC C2' 1 8 DC C3' 0.00 0.00 12.45 10.38 14.03 14.03 11 12 [*-********+*]
261 . 1 9 DG O4' 1 9 DG C1' 1 9 DG C2' 1 9 DG C3' 0.00 0.00 17.76 15.16 20.72 20.72 8 12 [****-**+****]
262 . 1 10 DG O4' 1 10 DG C1' 1 10 DG C2' 1 10 DG C3' 0.00 0.00 19.02 20.11 19.44 20.80 2 12 [*+********-*]
263 . 1 11 DC O4' 1 11 DC C1' 1 11 DC C2' 1 11 DC C3' 0.00 0.00 28.24 27.09 29.60 29.60 4 12 [***+*******-]
264 . 1 12 DT O4' 1 12 DT C1' 1 12 DT C2' 1 12 DT C3' 0.00 0.00 16.39 15.19 18.33 18.33 1 12 [+*-*********]
265 . 1 13 DT O4' 1 13 DT C1' 1 13 DT C2' 1 13 DT C3' 0.00 0.00 21.06 21.96 21.38 22.99 9 12 [*******-+***]
266 . 1 14 DG O4' 1 14 DG C1' 1 14 DG C2' 1 14 DG C3' 0.00 0.00 3.23 7.53 4.82 10.60 8 4 "[ * . *+ - ]"
267 . 1 15 DC O4' 1 15 DC C1' 1 15 DC C2' 1 15 DC C3' 0.00 0.00 17.50 18.19 18.05 21.42 11 12 [**********+-]
268 . 1 16 DC O4' 1 16 DC C1' 1 16 DC C2' 1 16 DC C3' 0.00 0.00 13.18 8.40 18.70 18.70 11 12 [*-********+*]
269 . 1 17 DG O4' 1 17 DG C1' 1 17 DG C2' 1 17 DG C3' 0.00 0.00 24.10 17.27 28.37 28.37 11 12 [******-***+*]
270 . 1 19 DC O4' 1 19 DC C1' 1 19 DC C2' 1 19 DC C3' 0.00 0.00 11.66 8.60 13.38 13.38 12 12 [********-**+]
271 . 1 20 DA O4' 1 20 DA C1' 1 20 DA C2' 1 20 DA C3' 0.00 0.00 21.01 21.45 20.52 22.84 7 12 [******+***-*]
272 . 1 21 DC O4' 1 21 DC C1' 1 21 DC C2' 1 21 DC C3' 0.00 0.00 27.26 27.16 26.96 27.84 8 12 [*******+***-]
273 . 1 22 DT O4' 1 22 DT C1' 1 22 DT C2' 1 22 DT C3' 0.00 0.00 21.89 27.57 21.08 30.27 11 12 [********-*+*]
274 . 1 23 DT O4' 1 23 DT C1' 1 23 DT C2' 1 23 DT C3' 0.00 0.00 5.47 4.27 6.43 6.43 9 9 "[* **** *+* -]"
275 . 1 24 DG O4' 1 24 DG C1' 1 24 DG C2' 1 24 DG C3' 0.00 0.00 17.47 8.41 20.57 20.57 9 12 [*-******+***]
276 . 1 25 DT O4' 1 25 DT C1' 1 25 DT C2' 1 25 DT C3' 0.00 0.00 15.08 13.85 17.18 17.18 11 12 [*-********+*]
277 . 1 26 DG O4' 1 26 DG C1' 1 26 DG C2' 1 26 DG C3' 0.00 0.00 15.45 10.56 18.43 18.43 7 12 [******+***-*]
278 . 1 30 DC O4' 1 30 DC C1' 1 30 DC C2' 1 30 DC C3' 0.00 0.00 14.95 9.64 20.18 20.18 5 12 [****+**-****]
279 . 1 31 DT O4' 1 31 DT C1' 1 31 DT C2' 1 31 DT C3' 0.00 0.00 13.99 10.39 16.63 16.63 5 12 [****+***-***]
280 . 1 32 DG O4' 1 32 DG C1' 1 32 DG C2' 1 32 DG C3' 0.00 0.00 17.68 13.68 21.71 21.71 10 12 [*********+-*]
281 . 1 33 DC O4' 1 33 DC C1' 1 33 DC C2' 1 33 DC C3' 0.00 0.00 20.26 17.97 22.61 22.61 6 12 [*****+*****-]
282 . 1 34 DA O4' 1 34 DA C1' 1 34 DA C2' 1 34 DA C3' 0.00 0.00 11.88 12.05 8.74 18.81 8 12 [*******+***-]
283 . 1 35 DC O4' 1 35 DC C1' 1 35 DC C2' 1 35 DC C3' 0.00 0.00 16.50 12.92 20.31 20.31 5 12 [****+****-**]
284 . 1 36 DG O4' 1 36 DG C1' 1 36 DG C2' 1 36 DG C3' 0.00 0.00 17.29 14.03 19.86 19.86 11 12 [*-********+*]
285 . 1 1 DC C1' 1 1 DC C2' 1 1 DC C3' 1 1 DC C4' 0.00 0.00 -9.74 -8.66 -9.16 13.77 5 12 [****+****-**]
286 . 1 2 DG C1' 1 2 DG C2' 1 2 DG C3' 1 2 DG C4' 0.00 0.00 -15.72 -14.74 -15.49 18.81 5 12 [****+****-**]
287 . 1 3 DT C1' 1 3 DT C2' 1 3 DT C3' 1 3 DT C4' 0.00 0.00 -15.21 -14.92 -15.04 17.41 6 12 [*****+***-**]
288 . 1 4 DG C1' 1 4 DG C2' 1 4 DG C3' 1 4 DG C4' 0.00 0.00 -21.32 -24.55 -19.09 24.55 2 12 [*+********-*]
289 . 1 5 DC C1' 1 5 DC C2' 1 5 DC C3' 1 5 DC C4' 0.00 0.00 -10.68 -9.29 -10.39 12.78 10 12 [*******-*+**]
290 . 1 6 DA C1' 1 6 DA C2' 1 6 DA C3' 1 6 DA C4' 0.00 0.00 -16.63 -18.69 -14.58 18.69 2 12 [*+********-*]
291 . 1 7 DG C1' 1 7 DG C2' 1 7 DG C3' 1 7 DG C4' 0.00 0.00 -25.49 -23.07 -23.30 31.02 12 12 [********-**+]
292 . 1 8 DC C1' 1 8 DC C2' 1 8 DC C3' 1 8 DC C4' 0.00 0.00 -8.14 -6.59 -7.16 9.01 11 12 [*-********+*]
293 . 1 9 DG C1' 1 9 DG C2' 1 9 DG C3' 1 9 DG C4' 0.00 0.00 -11.89 -11.73 -12.67 14.20 7 12 [**-***+*****]
294 . 1 10 DG C1' 1 10 DG C2' 1 10 DG C3' 1 10 DG C4' 0.00 0.00 -14.89 -15.65 -13.67 15.65 4 12 [***+*******-]
295 . 1 11 DC C1' 1 11 DC C2' 1 11 DC C3' 1 11 DC C4' 0.00 0.00 -26.57 -26.85 -27.21 28.55 11 12 [**********+-]
296 . 1 12 DT C1' 1 12 DT C2' 1 12 DT C3' 1 12 DT C4' 0.00 0.00 -17.93 -18.58 -19.01 19.01 1 12 [+****-******]
297 . 1 13 DT C1' 1 13 DT C2' 1 13 DT C3' 1 13 DT C4' 0.00 0.00 -21.38 -24.06 -18.33 24.06 9 12 [*******-+***]
298 . 1 14 DG C1' 1 14 DG C2' 1 14 DG C3' 1 14 DG C4' 0.00 0.00 -8.04 -13.15 -5.17 13.15 8 12 [****-**+****]
299 . 1 15 DC C1' 1 15 DC C2' 1 15 DC C3' 1 15 DC C4' 0.00 0.00 -12.12 -14.94 -9.86 14.94 11 12 [**********+-]
300 . 1 16 DC C1' 1 16 DC C2' 1 16 DC C3' 1 16 DC C4' 0.00 0.00 -11.66 -9.94 -10.72 16.36 11 12 [*-********+*]
301 . 1 17 DG C1' 1 17 DG C2' 1 17 DG C3' 1 17 DG C4' 0.00 0.00 -21.28 -21.49 -22.35 27.00 9 12 [******-*+***]
302 . 1 19 DC C1' 1 19 DC C2' 1 19 DC C3' 1 19 DC C4' 0.00 0.00 -9.52 -10.63 -9.04 10.63 11 12 [*******-**+*]
303 . 1 20 DA C1' 1 20 DA C2' 1 20 DA C3' 1 20 DA C4' 0.00 0.00 -16.54 -17.74 -15.26 17.74 2 12 [*+*-********]
304 . 1 21 DC C1' 1 21 DC C2' 1 21 DC C3' 1 21 DC C4' 0.00 0.00 -29.12 -30.30 -27.96 30.30 4 12 [-**+********]
305 . 1 22 DT C1' 1 22 DT C2' 1 22 DT C3' 1 22 DT C4' 0.00 0.00 -21.80 -21.47 -22.11 23.49 10 12 [******-**+**]
306 . 1 23 DT C1' 1 23 DT C2' 1 23 DT C3' 1 23 DT C4' 0.00 0.00 -1.78 -2.38 -0.96 2.38 7 0 "[ . 1 ]"
307 . 1 24 DG C1' 1 24 DG C2' 1 24 DG C3' 1 24 DG C4' 0.00 0.00 -19.40 -13.33 -15.75 24.08 12 12 [*-*********+]
308 . 1 25 DT C1' 1 25 DT C2' 1 25 DT C3' 1 25 DT C4' 0.00 0.00 -10.35 -9.38 -9.49 14.89 11 12 [****-*****+*]
309 . 1 26 DG C1' 1 26 DG C2' 1 26 DG C3' 1 26 DG C4' 0.00 0.00 -12.31 -11.76 -12.94 14.49 8 12 [*******+**-*]
310 . 1 30 DC C1' 1 30 DC C2' 1 30 DC C3' 1 30 DC C4' 0.00 0.00 -12.14 -10.74 -10.91 15.60 5 12 [****+**-****]
311 . 1 31 DT C1' 1 31 DT C2' 1 31 DT C3' 1 31 DT C4' 0.00 0.00 -10.10 -10.65 -11.34 12.00 5 12 [****+****-**]
312 . 1 32 DG C1' 1 32 DG C2' 1 32 DG C3' 1 32 DG C4' 0.00 0.00 -13.11 -13.69 -14.39 16.14 10 12 [*********+-*]
313 . 1 33 DC C1' 1 33 DC C2' 1 33 DC C3' 1 33 DC C4' 0.00 0.00 -15.03 -15.85 -16.03 16.70 9 12 [********+**-]
314 . 1 34 DA C1' 1 34 DA C2' 1 34 DA C3' 1 34 DA C4' 0.00 0.00 -10.53 -15.64 -7.22 15.64 8 12 [*******+***-]
315 . 1 35 DC C1' 1 35 DC C2' 1 35 DC C3' 1 35 DC C4' 0.00 0.00 -11.92 -15.11 -9.25 15.11 8 12 [*******+*-**]
316 . 1 36 DG C1' 1 36 DG C2' 1 36 DG C3' 1 36 DG C4' 0.00 0.00 -13.45 -11.95 -12.91 15.15 11 12 [*********-+*]
317 . 1 1 DC C2' 1 1 DC C3' 1 1 DC C4' 1 1 DC O4' 0.00 0.00 7.85 5.93 11.65 11.65 5 12 [*-**+*******]
318 . 1 2 DG C2' 1 2 DG C3' 1 2 DG C4' 1 2 DG O4' 0.00 0.00 6.16 4.20 7.66 7.66 1 9 "[+ ***-* *1**]"
319 . 1 3 DT C2' 1 3 DT C3' 1 3 DT C4' 1 3 DT O4' 0.00 0.00 4.86 3.52 6.07 6.07 6 4 "[ **+ 1- ]"
320 . 1 4 DG C2' 1 4 DG C3' 1 4 DG C4' 1 4 DG O4' 0.00 0.00 8.10 10.06 8.76 10.90 2 12 [*+**-*******]
321 . 1 5 DC C2' 1 5 DC C3' 1 5 DC C4' 1 5 DC O4' 0.00 0.00 2.66 3.80 3.37 5.70 10 1 "[ . + ]"
322 . 1 6 DA C2' 1 6 DA C3' 1 6 DA C4' 1 6 DA O4' 0.00 0.00 4.43 5.93 5.15 5.93 2 3 "[ + .- * ]"
323 . 1 7 DG C2' 1 7 DG C3' 1 7 DG C4' 1 7 DG O4' 0.00 0.00 11.35 9.76 9.58 16.68 12 12 [********-**+]
324 . 1 8 DC C2' 1 8 DC C3' 1 8 DC C4' 1 8 DC O4' 0.00 0.00 1.15 -0.06 2.08 2.08 7 0 "[ . 1 ]"
325 . 1 9 DG C2' 1 9 DG C3' 1 9 DG C4' 1 9 DG O4' 0.00 0.00 2.16 0.77 3.75 3.75 11 0 "[ . 1 ]"
326 . 1 10 DG C2' 1 10 DG C3' 1 10 DG C4' 1 10 DG O4' 0.00 0.00 5.91 4.78 8.75 8.75 11 8 "[* **** *1+-]"
327 . 1 11 DC C2' 1 11 DC C3' 1 11 DC C4' 1 11 DC O4' 0.00 0.00 16.22 14.62 18.89 18.89 9 12 [******-*+***]
328 . 1 12 DT C2' 1 12 DT C3' 1 12 DT C4' 1 12 DT O4' 0.00 0.00 13.49 11.83 14.60 14.60 10 12 [*********+-*]
329 . 1 13 DT C2' 1 13 DT C3' 1 13 DT C4' 1 13 DT O4' 0.00 0.00 14.61 15.19 14.04 17.14 9 12 [*******-+***]
330 . 1 14 DG C2' 1 14 DG C3' 1 14 DG C4' 1 14 DG O4' 0.00 0.00 10.20 8.43 11.39 11.39 8 12 [*******+-***]
331 . 1 15 DC C2' 1 15 DC C3' 1 15 DC C4' 1 15 DC O4' 0.00 0.00 2.82 2.93 2.80 4.37 9 0 "[ . 1 ]"
332 . 1 16 DC C2' 1 16 DC C3' 1 16 DC C4' 1 16 DC O4' 0.00 0.00 6.28 6.20 5.97 8.60 11 11 "[******-***+ ]"
333 . 1 17 DG C2' 1 17 DG C3' 1 17 DG C4' 1 17 DG O4' 0.00 0.00 11.50 13.93 12.62 18.48 9 12 [******-*+***]
334 . 1 19 DC C2' 1 19 DC C3' 1 19 DC C4' 1 19 DC O4' 0.00 0.00 4.24 4.07 3.42 7.10 9 2 "[ . +1- ]"
335 . 1 20 DA C2' 1 20 DA C3' 1 20 DA C4' 1 20 DA O4' 0.00 0.00 6.70 7.43 7.00 7.71 11 12 [**********+-]
336 . 1 21 DC C2' 1 21 DC C3' 1 21 DC C4' 1 21 DC O4' 0.00 0.00 21.58 22.14 21.50 23.50 4 12 [-**+********]
337 . 1 22 DT C2' 1 22 DT C3' 1 22 DT C4' 1 22 DT O4' 0.00 0.00 14.40 4.44 18.94 18.94 10 11 "[****** **+-*]"
338 . 1 23 DT C2' 1 23 DT C3' 1 23 DT C4' 1 23 DT O4' 0.00 0.00 -2.51 -1.12 -1.98 4.33 6 0 "[ . 1 ]"
339 . 1 24 DG C2' 1 24 DG C3' 1 24 DG C4' 1 24 DG O4' 0.00 0.00 15.02 13.32 12.83 27.49 11 12 [-*********+*]
340 . 1 25 DT C2' 1 25 DT C3' 1 25 DT C4' 1 25 DT O4' 0.00 0.00 2.25 1.82 1.66 7.66 11 1 "[ . 1+ ]"
341 . 1 26 DG C2' 1 26 DG C3' 1 26 DG C4' 1 26 DG O4' 0.00 0.00 5.10 6.95 5.84 6.95 2 7 "[ +* .* **- *]"
342 . 1 30 DC C2' 1 30 DC C3' 1 30 DC C4' 1 30 DC O4' 0.00 0.00 5.21 5.63 4.94 7.95 11 5 "[ * - **1+ ]"
343 . 1 31 DT C2' 1 31 DT C3' 1 31 DT C4' 1 31 DT O4' 0.00 0.00 2.96 1.42 5.24 5.24 9 1 "[ . +1 ]"
344 . 1 32 DG C2' 1 32 DG C3' 1 32 DG C4' 1 32 DG O4' 0.00 0.00 4.27 3.31 5.29 5.29 10 2 "[- . + ]"
345 . 1 33 DC C2' 1 33 DC C3' 1 33 DC C4' 1 33 DC O4' 0.00 0.00 4.90 3.69 5.70 5.70 9 7 "[***-.* +* ]"
346 . 1 34 DA C2' 1 34 DA C3' 1 34 DA C4' 1 34 DA O4' 0.00 0.00 5.68 9.11 7.30 9.11 2 8 "[*+* .- **** ]"
347 . 1 35 DC C2' 1 35 DC C3' 1 35 DC C4' 1 35 DC O4' 0.00 0.00 3.47 3.42 2.88 6.19 8 1 "[ . + 1 ]"
348 . 1 36 DG C2' 1 36 DG C3' 1 36 DG C4' 1 36 DG O4' 0.00 0.00 5.19 4.65 5.94 5.94 8 7 "[* *.* +*1*-]"
349 . 1 1 DC C3' 1 1 DC C4' 1 1 DC O4' 1 1 DC C1' 0.00 0.00 -2.68 -2.13 -2.96 4.94 12 0 "[ . 1 ]"
350 . 1 2 DG C3' 1 2 DG C4' 1 2 DG O4' 1 2 DG C1' 0.00 0.00 6.68 7.12 4.85 7.99 11 9 "[ ***** **-+ ]"
351 . 1 3 DT C3' 1 3 DT C4' 1 3 DT O4' 1 3 DT C1' 0.00 0.00 8.46 8.77 8.54 9.01 8 12 [*******+-***]
352 . 1 4 DG C3' 1 4 DG C4' 1 4 DG O4' 1 4 DG C1' 0.00 0.00 9.30 7.70 11.25 11.25 5 12 [****+-******]
353 . 1 5 DC C3' 1 5 DC C4' 1 5 DC O4' 1 5 DC C1' 0.00 0.00 7.20 3.74 10.49 10.49 5 10 "[* **+-***1**]"
354 . 1 6 DA C3' 1 6 DA C4' 1 6 DA O4' 1 6 DA C1' 0.00 0.00 10.63 8.64 12.07 12.07 5 12 [****+****-**]
355 . 1 7 DG C3' 1 7 DG C4' 1 7 DG O4' 1 7 DG C1' 0.00 0.00 8.44 5.45 10.39 10.39 5 12 [****+******-]
356 . 1 8 DC C3' 1 8 DC C4' 1 8 DC O4' 1 8 DC C1' 0.00 0.00 6.98 5.06 8.06 8.06 11 12 [********-*+*]
357 . 1 9 DG C3' 1 9 DG C4' 1 9 DG O4' 1 9 DG C1' 0.00 0.00 9.42 8.97 8.74 10.71 10 12 [****-****+**]
358 . 1 10 DG C3' 1 10 DG C4' 1 10 DG O4' 1 10 DG C1' 0.00 0.00 6.28 7.72 6.20 8.59 2 10 "[*+*-.***** *]"
359 . 1 11 DC C3' 1 11 DC C4' 1 11 DC O4' 1 11 DC C1' 0.00 0.00 1.27 1.20 1.06 2.96 6 0 "[ . 1 ]"
360 . 1 12 DT C3' 1 12 DT C4' 1 12 DT O4' 1 12 DT C1' 0.00 0.00 -3.36 -4.68 -0.70 4.68 10 0 "[ . 1 ]"
361 . 1 13 DT C3' 1 13 DT C4' 1 13 DT O4' 1 13 DT C1' 0.00 0.00 -1.55 -2.95 -0.16 2.95 9 0 "[ . 1 ]"
362 . 1 14 DG C3' 1 14 DG C4' 1 14 DG O4' 1 14 DG C1' 0.00 0.00 -8.60 -5.95 -8.30 13.03 5 9 "[* **+* -***]"
363 . 1 15 DC C3' 1 15 DC C4' 1 15 DC O4' 1 15 DC C1' 0.00 0.00 8.48 7.16 10.08 10.08 11 12 [********-*+*]
364 . 1 16 DC C3' 1 16 DC C4' 1 16 DC O4' 1 16 DC C1' 0.00 0.00 2.05 -1.62 3.57 3.57 1 0 "[ . 1 ]"
365 . 1 17 DG C3' 1 17 DG C4' 1 17 DG O4' 1 17 DG C1' 0.00 0.00 3.87 -1.60 8.09 8.09 6 6 "[ **.+-* 1 *]"
366 . 1 19 DC C3' 1 19 DC C4' 1 19 DC O4' 1 19 DC C1' 0.00 0.00 3.23 -1.78 6.04 6.04 12 3 "[ - .* 1 +]"
367 . 1 20 DA C3' 1 20 DA C4' 1 20 DA O4' 1 20 DA C1' 0.00 0.00 6.79 6.74 6.33 8.20 8 11 "[-******+** *]"
368 . 1 21 DC C3' 1 21 DC C4' 1 21 DC O4' 1 21 DC C1' 0.00 0.00 -4.91 -6.88 -3.72 6.88 4 5 "[ * +- **1 ]"
369 . 1 22 DT C3' 1 22 DT C4' 1 22 DT O4' 1 22 DT C1' 0.00 0.00 -0.64 12.69 -2.28 14.57 11 11 "[***-******+ ]"
370 . 1 23 DT C3' 1 23 DT C4' 1 23 DT O4' 1 23 DT C1' 0.00 0.00 6.21 3.76 8.52 8.52 6 9 "[* *-*+ *** *]"
371 . 1 24 DG C3' 1 24 DG C4' 1 24 DG O4' 1 24 DG C1' 0.00 0.00 -4.24 -20.89 0.39 20.89 11 4 "[ - .* 1+*]"
372 . 1 25 DT C3' 1 25 DT C4' 1 25 DT O4' 1 25 DT C1' 0.00 0.00 7.54 3.32 8.27 8.27 5 11 "[*-**+***** *]"
373 . 1 26 DG C3' 1 26 DG C4' 1 26 DG O4' 1 26 DG C1' 0.00 0.00 4.75 0.88 7.05 7.05 7 7 "[* *-* +* 1 *]"
374 . 1 30 DC C3' 1 30 DC C4' 1 30 DC O4' 1 30 DC C1' 0.00 0.00 4.29 -0.07 7.78 7.78 4 6 "[- *+* * * ]"
375 . 1 31 DT C3' 1 31 DT C4' 1 31 DT O4' 1 31 DT C1' 0.00 0.00 6.11 7.70 7.29 7.79 2 9 "[*+**** - ** ]"
376 . 1 32 DG C3' 1 32 DG C4' 1 32 DG O4' 1 32 DG C1' 0.00 0.00 7.08 5.51 8.62 8.62 10 12 [*********+-*]
377 . 1 33 DC C3' 1 33 DC C4' 1 33 DC O4' 1 33 DC C1' 0.00 0.00 8.23 7.70 9.38 9.38 6 12 [*****+***-**]
378 . 1 34 DA C3' 1 34 DA C4' 1 34 DA O4' 1 34 DA C1' 0.00 0.00 1.79 -1.07 6.12 6.12 5 2 "[ + - 1 ]"
379 . 1 35 DC C3' 1 35 DC C4' 1 35 DC O4' 1 35 DC C1' 0.00 0.00 7.28 5.89 9.29 9.29 5 12 [****+****-**]
380 . 1 36 DG C3' 1 36 DG C4' 1 36 DG O4' 1 36 DG C1' 0.00 0.00 5.91 4.06 7.90 7.90 5 8 "[* **+* -1**]"
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Contact the webmaster for help, if required. Wednesday, June 26, 2024 12:43:50 AM GMT (wattos1)