NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
532366 | 2lkr | 17961 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lkr save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 368 _TA_constraint_stats_list.Viol_count 1992 _TA_constraint_stats_list.Viol_total 1096757.00 _TA_constraint_stats_list.Viol_max 164.98 _TA_constraint_stats_list.Viol_rms 50.27 _TA_constraint_stats_list.Viol_average_all_restraints 29.80 _TA_constraint_stats_list.Viol_average_violations_only 55.06 _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 G O5' 1 1 G C5' 1 1 G C4' 1 1 G C3' 32.44 62.44 153.24 -177.82 154.24 128.81 6 10 [**-**+****] 2 . 1 1 G C5' 1 1 G C4' 1 1 G C3' 1 1 G O3' 68.45 98.45 101.13 92.43 111.70 13.25 8 1 "[ . + 1]" 3 . 1 1 G C4' 1 1 G C3' 1 1 G O3' 1 2 G P -166.70 -136.70 -137.78 -120.78 -134.02 15.92 2 1 "[ + . 1]" 4 . 1 1 G C3' 1 1 G O3' 1 2 G P 1 2 G O5' -88.60 -58.60 -147.06 -110.36 -156.10 68.64 9 10 [********+-] 5 . 1 1 G O3' 1 2 G P 1 2 G O5' 1 2 G C5' -77.10 -47.10 96.54 55.67 106.51 153.61 7 10 [*-****+***] 6 . 1 2 G P 1 2 G O5' 1 2 G C5' 1 2 G C4' 165.10 -164.90 -85.01 -134.88 -73.14 91.76 4 10 [***+*****-] 7 . 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 2 G C3' 32.44 62.44 -154.03 -114.64 -161.42 147.08 10 10 [*******-*+] 8 . 1 2 G C5' 1 2 G C4' 1 2 G C3' 1 2 G O3' 68.45 98.45 136.84 101.69 149.19 50.74 6 8 "[* ***+**-1]" 9 . 1 2 G C4' 1 2 G C3' 1 2 G O3' 1 3 C P -166.70 -136.70 -140.97 -154.53 -136.04 0.66 4 0 "[ . 1]" 10 . 1 2 G C3' 1 2 G O3' 1 3 C P 1 3 C O5' -88.60 -58.60 -98.13 -109.79 -83.30 21.19 6 9 "[** **+*-**]" 11 . 1 2 G O3' 1 3 C P 1 3 C O5' 1 3 C C5' -77.10 -47.10 140.90 111.67 150.66 161.40 2 10 [*+****-***] 12 . 1 3 C P 1 3 C O5' 1 3 C C5' 1 3 C C4' 165.10 -164.90 -113.21 -141.76 -104.96 59.94 1 10 [+********-] 13 . 1 3 C O5' 1 3 C C5' 1 3 C C4' 1 3 C C3' 32.44 62.44 166.10 -149.95 161.43 150.89 2 10 [*+**-*****] 14 . 1 3 C C5' 1 3 C C4' 1 3 C C3' 1 3 C O3' 68.45 98.45 122.28 91.87 131.38 32.93 5 8 "[* **+*-**1]" 15 . 1 3 C C4' 1 3 C C3' 1 3 C O3' 1 4 A P -166.70 -136.70 -97.66 -151.30 -84.18 52.52 5 8 "[- **+****1]" 16 . 1 3 C C3' 1 3 C O3' 1 4 A P 1 4 A O5' -88.60 -58.60 -91.50 -76.61 -91.03 9.11 3 7 "[* +** *-*1]" 17 . 1 3 C O3' 1 4 A P 1 4 A O5' 1 4 A C5' -77.10 -47.10 -1.26 -64.69 14.30 61.40 7 8 "[* -***+**1]" 18 . 1 4 A P 1 4 A O5' 1 4 A C5' 1 4 A C4' 165.10 -164.90 -148.33 155.83 -134.34 30.56 7 9 "[* ****+**-]" 19 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' 32.44 62.44 125.00 67.56 141.01 78.57 7 10 [*-****+***] 20 . 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' 68.45 98.45 105.74 97.37 108.69 10.24 7 8 "[- ****+**1]" 21 . 1 4 A C4' 1 4 A C3' 1 4 A O3' 1 5 A P -166.70 -136.70 -153.20 -154.16 -155.48 . . 0 "[ . 1]" 22 . 1 4 A C3' 1 4 A O3' 1 5 A P 1 5 A O5' -88.60 -58.60 -75.72 -67.19 -73.70 . . 0 "[ . 1]" 23 . 1 4 A O3' 1 5 A P 1 5 A O5' 1 5 A C5' -77.10 -47.10 -57.15 -93.87 -37.91 16.77 10 3 "[ * - +]" 24 . 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' 165.10 -164.90 159.14 177.44 157.60 22.08 5 8 "[* -*+****1]" 25 . 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' 32.44 62.44 77.24 68.09 91.26 28.82 3 10 [**+*-*****] 26 . 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' 68.45 98.45 100.92 91.25 104.75 6.30 3 2 "[- + . 1]" 27 . 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 6 U P -166.70 -136.70 -133.54 -143.41 -131.62 5.08 9 1 "[ . +1]" 28 . 1 5 A C3' 1 5 A O3' 1 6 U P 1 6 U O5' -88.60 -58.60 -82.66 -96.37 -65.93 7.77 2 1 "[ + . 1]" 29 . 1 5 A O3' 1 6 U P 1 6 U O5' 1 6 U C5' -77.10 -47.10 126.62 107.36 137.24 159.24 6 10 [*****+-***] 30 . 1 6 U P 1 6 U O5' 1 6 U C5' 1 6 U C4' 165.10 -164.90 -161.45 -161.01 -166.45 18.65 7 4 "[ - * + *]" 31 . 1 6 U O5' 1 6 U C5' 1 6 U C4' 1 6 U C3' 32.44 62.44 -171.83 -153.01 -164.66 144.55 2 10 [*+**-*****] 32 . 1 6 U C5' 1 6 U C4' 1 6 U C3' 1 6 U O3' 68.45 98.45 99.84 89.26 109.13 10.68 3 1 "[ + . 1]" 33 . 1 6 U C4' 1 6 U C3' 1 6 U O3' 1 7 A P -166.70 -136.70 -138.55 -167.11 -115.58 21.12 6 3 "[ -*+ 1]" 34 . 1 6 U C3' 1 6 U O3' 1 7 A P 1 7 A O5' -88.60 -58.60 -76.93 -67.20 -70.61 15.39 6 1 "[ .+ 1]" 35 . 1 6 U O3' 1 7 A P 1 7 A O5' 1 7 A C5' -77.10 -47.10 -70.90 -100.96 -53.71 23.86 2 2 "[ + . -]" 36 . 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' 165.10 -164.90 159.93 165.14 162.26 30.66 6 3 "[ - .+ *]" 37 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' 32.44 62.44 72.04 98.27 70.11 40.73 10 7 "[**- .* **+]" 38 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' 68.45 98.45 95.43 92.70 98.10 . . 0 "[ . 1]" 39 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 C P -166.70 -136.70 -164.47 -179.96 -157.78 13.26 10 1 "[ . +]" 40 . 1 7 A C3' 1 7 A O3' 1 8 C P 1 8 C O5' -88.60 -58.60 -69.64 -90.39 -62.74 1.79 10 0 "[ . 1]" 41 . 1 7 A O3' 1 8 C P 1 8 C O5' 1 8 C C5' -77.10 -47.10 -81.49 -105.69 -68.29 28.59 10 4 "[ - . * *+]" 42 . 1 8 C P 1 8 C O5' 1 8 C C5' 1 8 C C4' 165.10 -164.90 -173.99 -174.83 -175.21 0.87 10 0 "[ . 1]" 43 . 1 8 C O5' 1 8 C C5' 1 8 C C4' 1 8 C C3' 32.44 62.44 55.29 43.98 65.30 2.86 7 0 "[ . 1]" 44 . 1 8 C C5' 1 8 C C4' 1 8 C C3' 1 8 C O3' 68.45 98.45 90.12 92.28 91.77 6.75 10 1 "[ . +]" 45 . 1 14 U P 1 14 U O5' 1 14 U C5' 1 14 U C4' 165.10 -164.90 166.48 176.71 171.46 15.77 4 3 "[ -+. *1]" 46 . 1 14 U O5' 1 14 U C5' 1 14 U C4' 1 14 U C3' 32.44 62.44 63.55 40.45 76.63 14.19 8 3 "[- *. + 1]" 47 . 1 14 U C5' 1 14 U C4' 1 14 U C3' 1 14 U O3' 68.45 98.45 96.95 89.79 106.85 8.40 4 2 "[- +. 1]" 48 . 1 14 U C4' 1 14 U C3' 1 14 U O3' 1 15 G P -166.70 -136.70 -166.95 -167.10 -170.76 10.40 1 2 "[+ . - 1]" 49 . 1 14 U C3' 1 14 U O3' 1 15 G P 1 15 G O5' -88.60 -58.60 -85.80 -94.53 -78.43 5.93 9 3 "[ - . *+1]" 50 . 1 14 U O3' 1 15 G P 1 15 G O5' 1 15 G C5' -77.10 -47.10 113.96 106.26 120.07 162.83 1 10 [+***-*****] 51 . 1 15 G P 1 15 G O5' 1 15 G C5' 1 15 G C4' 165.10 -164.90 -158.31 -147.00 -156.70 21.00 2 4 "[ + - **1]" 52 . 1 15 G O5' 1 15 G C5' 1 15 G C4' 1 15 G C3' 32.44 62.44 -143.51 -135.02 -139.47 163.32 10 10 [******-**+] 53 . 1 15 G C5' 1 15 G C4' 1 15 G C3' 1 15 G O3' 68.45 98.45 109.35 138.90 131.89 42.75 2 3 "[-+ . *]" 54 . 1 15 G C4' 1 15 G C3' 1 15 G O3' 1 16 A P -166.70 -136.70 -137.11 -110.72 -129.42 25.98 2 2 "[ + - 1]" 55 . 1 15 G C3' 1 15 G O3' 1 16 A P 1 16 A O5' -88.60 -58.60 -62.28 -37.31 -43.88 21.29 2 2 "[-+ . 1]" 56 . 1 15 G O3' 1 16 A P 1 16 A O5' 1 16 A C5' -77.10 -47.10 -84.45 -115.40 -65.45 38.30 2 4 "[*+ -. *]" 57 . 1 16 A P 1 16 A O5' 1 16 A C5' 1 16 A C4' 165.10 -164.90 168.61 141.21 -179.48 23.89 2 1 "[ + . 1]" 58 . 1 16 A O5' 1 16 A C5' 1 16 A C4' 1 16 A C3' 32.44 62.44 57.87 85.42 67.04 22.98 2 1 "[ + . 1]" 59 . 1 16 A C5' 1 16 A C4' 1 16 A C3' 1 16 A O3' 68.45 98.45 95.25 89.75 101.58 3.13 8 0 "[ . 1]" 60 . 1 16 A C4' 1 16 A C3' 1 16 A O3' 1 17 U P -166.70 -136.70 -156.34 -156.18 -157.15 . . 0 "[ . 1]" 61 . 1 16 A C3' 1 16 A O3' 1 17 U P 1 17 U O5' -88.60 -58.60 -85.86 -88.42 -88.92 2.29 7 0 "[ . 1]" 62 . 1 16 A O3' 1 17 U P 1 17 U O5' 1 17 U C5' -77.10 -47.10 -78.11 -71.87 -73.46 34.26 5 3 "[ -+ *1]" 63 . 1 17 U P 1 17 U O5' 1 17 U C5' 1 17 U C4' 165.10 -164.90 168.91 167.58 165.58 2.83 10 0 "[ . 1]" 64 . 1 17 U O5' 1 17 U C5' 1 17 U C4' 1 17 U C3' 32.44 62.44 60.40 52.92 52.26 25.12 5 3 "[ *+ -1]" 65 . 1 17 U C5' 1 17 U C4' 1 17 U C3' 1 17 U O3' 68.45 98.45 96.78 87.67 103.38 4.93 8 0 "[ . 1]" 66 . 1 17 U C4' 1 17 U C3' 1 17 U O3' 1 18 C P -166.70 -136.70 -163.22 -160.53 -162.28 0.54 10 0 "[ . 1]" 67 . 1 17 U C3' 1 17 U O3' 1 18 C P 1 18 C O5' -88.60 -58.60 -103.53 -111.91 -115.11 26.51 1 9 [+****-***1] 68 . 1 17 U O3' 1 18 C P 1 18 C O5' 1 18 C C5' -77.10 -47.10 148.73 146.63 143.87 142.48 10 10 [****-****+] 69 . 1 18 C P 1 18 C O5' 1 18 C C5' 1 18 C C4' 165.10 -164.90 -145.05 -132.55 -139.81 33.95 5 10 [***-+*****] 70 . 1 18 C O5' 1 18 C C5' 1 18 C C4' 1 18 C C3' 32.44 62.44 174.33 178.78 178.27 125.13 10 10 [****-****+] 71 . 1 18 C C5' 1 18 C C4' 1 18 C C3' 1 18 C O3' 68.45 98.45 101.23 95.45 110.69 12.24 3 3 "[* + . -1]" 72 . 1 19 A P 1 19 A O5' 1 19 A C5' 1 19 A C4' 165.10 -164.90 -164.51 173.92 -154.09 10.81 3 5 "[* + .-* *1]" 73 . 1 19 A O5' 1 19 A C5' 1 19 A C4' 1 19 A C3' 32.44 62.44 -169.71 172.88 -157.57 139.99 1 10 [+********-] 74 . 1 19 A C5' 1 19 A C4' 1 19 A C3' 1 19 A O3' 68.45 98.45 97.06 110.90 98.57 13.47 10 2 "[ - . +]" 75 . 1 19 A C4' 1 19 A C3' 1 19 A O3' 1 20 G P -166.70 -136.70 -160.10 -164.13 -151.72 . . 0 "[ . 1]" 76 . 1 19 A C3' 1 19 A O3' 1 20 G P 1 20 G O5' -88.60 -58.60 -87.59 -86.81 -89.10 5.42 10 1 "[ . +]" 77 . 1 19 A O3' 1 20 G P 1 20 G O5' 1 20 G C5' -77.10 -47.10 139.09 136.72 159.19 146.18 4 10 [***+*****-] 78 . 1 20 G P 1 20 G O5' 1 20 G C5' 1 20 G C4' 165.10 -164.90 -170.41 -178.76 -167.29 . . 0 "[ . 1]" 79 . 1 20 G O5' 1 20 G C5' 1 20 G C4' 1 20 G C3' 32.44 62.44 -174.66 -173.81 -177.93 128.31 4 10 [***+*****-] 80 . 1 20 G C5' 1 20 G C4' 1 20 G C3' 1 20 G O3' 68.45 98.45 99.81 113.35 96.66 29.94 10 2 "[ - . +]" 81 . 1 20 G C4' 1 20 G C3' 1 20 G O3' 1 21 C P -166.70 -136.70 -170.62 179.08 -167.01 14.22 2 2 "[ + . -]" 82 . 1 20 G C3' 1 20 G O3' 1 21 C P 1 21 C O5' -88.60 -58.60 -98.65 -102.62 -92.81 14.02 2 9 [*+-*.*****] 83 . 1 20 G O3' 1 21 C P 1 21 C O5' 1 21 C C5' -77.10 -47.10 154.43 141.32 -178.32 141.58 2 10 [*+*******-] 84 . 1 21 C P 1 21 C O5' 1 21 C C5' 1 21 C C4' 165.10 -164.90 -153.43 -174.36 -141.21 23.69 5 8 "[* **+***-1]" 85 . 1 21 C O5' 1 21 C C5' 1 21 C C4' 1 21 C C3' 32.44 62.44 176.71 -170.14 179.25 128.03 2 10 [*+*-******] 86 . 1 21 C C5' 1 21 C C4' 1 21 C C3' 1 21 C O3' 68.45 98.45 98.10 92.94 100.87 2.42 8 0 "[ . 1]" 87 . 1 23 G P 1 23 G O5' 1 23 G C5' 1 23 G C4' 165.10 -164.90 -115.32 -104.32 -109.84 62.28 8 10 [**-****+**] 88 . 1 23 G O5' 1 23 G C5' 1 23 G C4' 1 23 G C3' 32.44 62.44 157.18 144.23 168.33 105.89 1 10 [+********-] 89 . 1 23 G C5' 1 23 G C4' 1 23 G C3' 1 23 G O3' 68.45 98.45 97.68 96.62 92.70 2.58 7 0 "[ . 1]" 90 . 1 23 G C4' 1 23 G C3' 1 23 G O3' 1 24 U P -166.70 -136.70 -171.47 -178.61 -166.01 11.91 2 5 "[ + -* * *]" 91 . 1 23 G C3' 1 23 G O3' 1 24 U P 1 24 U O5' -88.60 -58.60 -87.80 -79.75 -82.07 9.50 7 3 "[ * .-+ 1]" 92 . 1 23 G O3' 1 24 U P 1 24 U O5' 1 24 U C5' -77.10 -47.10 141.41 128.27 146.92 154.63 2 10 [*+**-*****] 93 . 1 24 U P 1 24 U O5' 1 24 U C5' 1 24 U C4' 165.10 -164.90 -161.27 -179.81 -143.31 21.59 6 4 "[ * .+* -1]" 94 . 1 24 U O5' 1 24 U C5' 1 24 U C4' 1 24 U C3' 32.44 62.44 -168.06 -161.21 -169.60 142.93 2 10 [*+***-****] 95 . 1 24 U C5' 1 24 U C4' 1 24 U C3' 1 24 U O3' 68.45 98.45 98.42 95.96 101.20 2.75 7 0 "[ . 1]" 96 . 1 24 U C4' 1 24 U C3' 1 24 U O3' 1 25 U P -166.70 -136.70 -151.48 -140.40 -150.99 . . 0 "[ . 1]" 97 . 1 24 U C3' 1 24 U O3' 1 25 U P 1 25 U O5' -88.60 -58.60 -72.96 -84.99 -63.32 . . 0 "[ . 1]" 98 . 1 24 U O3' 1 25 U P 1 25 U O5' 1 25 U C5' -77.10 -47.10 -73.10 -80.14 -65.87 3.04 5 0 "[ . 1]" 99 . 1 25 U P 1 25 U O5' 1 25 U C5' 1 25 U C4' 165.10 -164.90 171.78 -175.36 173.66 1.88 5 0 "[ . 1]" 100 . 1 25 U O5' 1 25 U C5' 1 25 U C4' 1 25 U C3' 32.44 62.44 65.26 48.39 78.28 15.84 5 3 "[ *+ -1]" 101 . 1 25 U C5' 1 25 U C4' 1 25 U C3' 1 25 U O3' 68.45 98.45 98.21 94.22 105.65 7.20 10 1 "[ . +]" 102 . 1 25 U C4' 1 25 U C3' 1 25 U O3' 1 26 C P -166.70 -136.70 175.78 178.19 174.89 26.58 7 10 [*-****+***] 103 . 1 25 U C3' 1 25 U O3' 1 26 C P 1 26 C O5' -88.60 -58.60 -95.59 -101.32 -87.02 12.72 2 6 "[*+-*. **1]" 104 . 1 25 U O3' 1 26 C P 1 26 C O5' 1 26 C C5' -77.10 -47.10 150.86 145.09 156.14 137.81 2 10 [*+*******-] 105 . 1 26 C P 1 26 C O5' 1 26 C C5' 1 26 C C4' 165.10 -164.90 -116.89 -144.64 -104.23 60.67 7 10 [******+**-] 106 . 1 26 C O5' 1 26 C C5' 1 26 C C4' 1 26 C C3' 32.44 62.44 -174.84 176.53 -164.16 133.40 6 10 [*****+***-] 107 . 1 26 C C5' 1 26 C C4' 1 26 C C3' 1 26 C O3' 68.45 98.45 114.66 102.60 122.93 24.48 1 9 "[+ *******-]" 108 . 1 28 C P 1 28 C O5' 1 28 C C5' 1 28 C C4' 165.10 -164.90 -140.11 -155.50 -123.87 41.03 9 10 [**-*****+*] 109 . 1 28 C O5' 1 28 C C5' 1 28 C C4' 1 28 C C3' 32.44 62.44 -78.54 -130.09 -64.57 162.53 10 10 [*****-***+] 110 . 1 28 C C5' 1 28 C C4' 1 28 C C3' 1 28 C O3' 68.45 98.45 128.44 106.28 136.45 38.00 6 10 [*****+***-] 111 . 1 28 C C4' 1 28 C C3' 1 28 C O3' 1 29 C P -166.70 -136.70 -144.08 -169.33 -138.38 2.63 10 0 "[ . 1]" 112 . 1 28 C C3' 1 28 C O3' 1 29 C P 1 29 C O5' -88.60 -58.60 -63.11 -77.20 -55.16 3.44 6 0 "[ . 1]" 113 . 1 28 C O3' 1 29 C P 1 29 C O5' 1 29 C C5' -77.10 -47.10 -71.67 -67.56 -67.66 5.21 6 2 "[ .+ -]" 114 . 1 29 C P 1 29 C O5' 1 29 C C5' 1 29 C C4' 165.10 -164.90 169.46 169.03 167.56 . . 0 "[ . 1]" 115 . 1 29 C O5' 1 29 C C5' 1 29 C C4' 1 29 C C3' 32.44 62.44 55.25 49.80 65.58 3.14 6 0 "[ . 1]" 116 . 1 29 C C5' 1 29 C C4' 1 29 C C3' 1 29 C O3' 68.45 98.45 92.26 94.05 93.24 . . 0 "[ . 1]" 117 . 1 29 C C4' 1 29 C C3' 1 29 C O3' 1 30 U P -166.70 -136.70 -166.96 -175.70 -155.07 9.00 5 3 "[ * + -1]" 118 . 1 29 C C3' 1 29 C O3' 1 30 U P 1 30 U O5' -88.60 -58.60 -95.77 -95.84 -96.12 7.89 5 10 [****+*-***] 119 . 1 29 C O3' 1 30 U P 1 30 U O5' 1 30 U C5' -77.10 -47.10 -162.59 -164.98 -165.66 96.91 10 10 [**-******+] 120 . 1 30 U P 1 30 U O5' 1 30 U C5' 1 30 U C4' 165.10 -164.90 -124.10 -118.85 -119.59 54.90 5 10 [****+*-***] 121 . 1 30 U O5' 1 30 U C5' 1 30 U C4' 1 30 U C3' 32.44 62.44 114.31 112.08 115.98 53.54 1 10 [+********-] 122 . 1 30 U C5' 1 30 U C4' 1 30 U C3' 1 30 U O3' 68.45 98.45 94.41 93.95 92.49 . . 0 "[ . 1]" 123 . 1 36 A P 1 36 A O5' 1 36 A C5' 1 36 A C4' 165.10 -164.90 99.71 95.27 102.64 69.83 4 10 [***+****-*] 124 . 1 36 A O5' 1 36 A C5' 1 36 A C4' 1 36 A C3' 32.44 62.44 149.00 146.33 141.55 92.45 3 10 [-*+*******] 125 . 1 36 A C5' 1 36 A C4' 1 36 A C3' 1 36 A O3' 68.45 98.45 103.46 102.08 100.14 9.03 5 4 "[ *-*+ 1]" 126 . 1 36 A C4' 1 36 A C3' 1 36 A O3' 1 37 G P -166.70 -136.70 -164.90 -165.39 -169.06 4.35 1 0 "[ . 1]" 127 . 1 36 A C3' 1 36 A O3' 1 37 G P 1 37 G O5' -88.60 -58.60 -71.50 -84.13 -85.93 7.31 9 1 "[ . +1]" 128 . 1 36 A O3' 1 37 G P 1 37 G O5' 1 37 G C5' -77.10 -47.10 154.28 131.76 -172.37 151.14 5 10 [****+-****] 129 . 1 37 G P 1 37 G O5' 1 37 G C5' 1 37 G C4' 165.10 -164.90 -154.38 -129.69 -130.93 36.01 2 4 "[*+ .* -]" 130 . 1 37 G O5' 1 37 G C5' 1 37 G C4' 1 37 G C3' 32.44 62.44 162.73 141.83 137.37 125.45 4 10 [***+*-****] 131 . 1 37 G C5' 1 37 G C4' 1 37 G C3' 1 37 G O3' 68.45 98.45 94.82 111.71 95.15 13.26 2 1 "[ + . 1]" 132 . 1 37 G C4' 1 37 G C3' 1 37 G O3' 1 38 G P -166.70 -136.70 -168.31 -176.76 -164.14 10.06 2 2 "[ + .- 1]" 133 . 1 37 G C3' 1 37 G O3' 1 38 G P 1 38 G O5' -88.60 -58.60 -60.01 -81.30 -50.69 7.91 8 2 "[ - . + 1]" 134 . 1 37 G O3' 1 38 G P 1 38 G O5' 1 38 G C5' -77.10 -47.10 -76.15 -57.30 -68.97 10.65 10 2 "[ .- +]" 135 . 1 38 G P 1 38 G O5' 1 38 G C5' 1 38 G C4' 165.10 -164.90 -161.77 -166.17 -160.13 4.77 8 0 "[ . 1]" 136 . 1 38 G O5' 1 38 G C5' 1 38 G C4' 1 38 G C3' 32.44 62.44 45.66 19.65 53.38 12.79 2 1 "[ + . 1]" 137 . 1 38 G C5' 1 38 G C4' 1 38 G C3' 1 38 G O3' 68.45 98.45 94.27 92.56 91.83 5.29 10 1 "[ . +]" 138 . 1 41 G P 1 41 G O5' 1 41 G C5' 1 41 G C4' 165.10 -164.90 147.68 158.00 149.95 26.12 6 9 [*-***+***1] 139 . 1 41 G O5' 1 41 G C5' 1 41 G C4' 1 41 G C3' 32.44 62.44 23.07 12.86 24.79 19.58 10 10 [******-**+] 140 . 1 41 G C5' 1 41 G C4' 1 41 G C3' 1 41 G O3' 68.45 98.45 92.55 95.88 93.73 . . 0 "[ . 1]" 141 . 1 41 G C4' 1 41 G C3' 1 41 G O3' 1 42 A P -166.70 -136.70 -166.62 -178.39 -161.35 11.69 10 2 "[ - . +]" 142 . 1 41 G C3' 1 41 G O3' 1 42 A P 1 42 A O5' -88.60 -58.60 -74.21 -59.02 -73.41 2.05 2 0 "[ . 1]" 143 . 1 41 G O3' 1 42 A P 1 42 A O5' 1 42 A C5' -77.10 -47.10 -85.60 -104.58 -70.63 27.48 2 7 "[ + **** -*]" 144 . 1 42 A P 1 42 A O5' 1 42 A C5' 1 42 A C4' 165.10 -164.90 170.18 165.39 176.34 . . 0 "[ . 1]" 145 . 1 42 A O5' 1 42 A C5' 1 42 A C4' 1 42 A C3' 32.44 62.44 82.62 91.24 80.79 40.31 2 10 [*+*****-**] 146 . 1 42 A C5' 1 42 A C4' 1 42 A C3' 1 42 A O3' 68.45 98.45 98.60 95.52 107.63 9.18 5 1 "[ + 1]" 147 . 1 42 A C4' 1 42 A C3' 1 42 A O3' 1 43 A P -166.70 -136.70 -131.04 -140.48 -124.30 12.40 4 7 "[* *+.* **-]" 148 . 1 42 A C3' 1 42 A O3' 1 43 A P 1 43 A O5' -88.60 -58.60 -85.36 -81.33 -85.29 1.69 1 0 "[ . 1]" 149 . 1 42 A O3' 1 43 A P 1 43 A O5' 1 43 A C5' -77.10 -47.10 -67.08 -88.83 -59.77 11.73 5 1 "[ + 1]" 150 . 1 43 A P 1 43 A O5' 1 43 A C5' 1 43 A C4' 165.10 -164.90 153.31 155.01 151.96 19.20 8 9 [****.*-+**] 151 . 1 43 A O5' 1 43 A C5' 1 43 A C4' 1 43 A C3' 32.44 62.44 61.62 67.35 62.61 7.08 10 3 "[ * .- +]" 152 . 1 43 A C5' 1 43 A C4' 1 43 A C3' 1 43 A O3' 68.45 98.45 95.24 94.85 92.87 2.83 10 0 "[ . 1]" 153 . 1 43 A C4' 1 43 A C3' 1 43 A O3' 1 44 C P -166.70 -136.70 -164.24 -166.83 -159.66 0.13 5 0 "[ . 1]" 154 . 1 43 A C3' 1 43 A O3' 1 44 C P 1 44 C O5' -88.60 -58.60 -70.19 -74.31 -66.05 . . 0 "[ . 1]" 155 . 1 43 A O3' 1 44 C P 1 44 C O5' 1 44 C C5' -77.10 -47.10 129.74 117.48 147.68 164.98 7 10 [****-*+***] 156 . 1 44 C P 1 44 C O5' 1 44 C C5' 1 44 C C4' 165.10 -164.90 172.58 152.79 179.67 12.31 8 1 "[ . + 1]" 157 . 1 44 C O5' 1 44 C C5' 1 44 C C4' 1 44 C C3' 32.44 62.44 -173.97 -171.42 -178.16 136.02 2 10 [-+********] 158 . 1 44 C C5' 1 44 C C4' 1 44 C C3' 1 44 C O3' 68.45 98.45 93.70 90.59 87.30 2.69 8 0 "[ . 1]" 159 . 1 53 A P 1 53 A O5' 1 53 A C5' 1 53 A C4' 165.10 -164.90 -163.45 -174.41 -149.35 15.55 7 2 "[- . + 1]" 160 . 1 53 A O5' 1 53 A C5' 1 53 A C4' 1 53 A C3' 32.44 62.44 -168.87 179.16 -154.80 142.76 7 10 [******+**-] 161 . 1 53 A C5' 1 53 A C4' 1 53 A C3' 1 53 A O3' 68.45 98.45 95.44 94.62 93.34 . . 0 "[ . 1]" 162 . 1 53 A C4' 1 53 A C3' 1 53 A O3' 1 54 A P -166.70 -136.70 -171.28 -164.84 -171.62 9.10 1 7 "[+ **-* **1]" 163 . 1 53 A C3' 1 53 A O3' 1 54 A P 1 54 A O5' -88.60 -58.60 -78.90 -89.71 -74.37 1.11 2 0 "[ . 1]" 164 . 1 53 A O3' 1 54 A P 1 54 A O5' 1 54 A C5' -77.10 -47.10 127.86 123.78 133.04 159.12 9 10 [-*******+*] 165 . 1 54 A P 1 54 A O5' 1 54 A C5' 1 54 A C4' 165.10 -164.90 -166.43 -148.64 -166.80 16.64 2 2 "[ + . -]" 166 . 1 54 A O5' 1 54 A C5' 1 54 A C4' 1 54 A C3' 32.44 62.44 -162.29 -162.97 -161.13 136.43 3 10 [**+**-****] 167 . 1 54 A C5' 1 54 A C4' 1 54 A C3' 1 54 A O3' 68.45 98.45 100.65 94.53 105.09 6.64 1 2 "[+ - . 1]" 168 . 1 54 A C4' 1 54 A C3' 1 54 A O3' 1 55 A P -166.70 -136.70 -169.54 -174.09 -165.63 7.39 2 2 "[ + . - 1]" 169 . 1 54 A C3' 1 54 A O3' 1 55 A P 1 55 A O5' -88.60 -58.60 -75.55 -83.80 -71.22 . . 0 "[ . 1]" 170 . 1 54 A O3' 1 55 A P 1 55 A O5' 1 55 A C5' -77.10 -47.10 130.30 131.34 128.04 164.07 6 10 [****-+****] 171 . 1 55 A P 1 55 A O5' 1 55 A C5' 1 55 A C4' 165.10 -164.90 -171.18 -172.74 -173.65 22.40 10 1 "[ . +]" 172 . 1 55 A O5' 1 55 A C5' 1 55 A C4' 1 55 A C3' 32.44 62.44 -167.10 -165.52 -168.47 147.18 10 10 [****-****+] 173 . 1 55 A C5' 1 55 A C4' 1 55 A C3' 1 55 A O3' 68.45 98.45 97.23 94.52 100.41 1.96 3 0 "[ . 1]" 174 . 1 55 A C4' 1 55 A C3' 1 55 A O3' 1 56 G P -166.70 -136.70 -161.46 -142.37 -162.95 8.41 10 2 "[- . +]" 175 . 1 55 A C3' 1 55 A O3' 1 56 G P 1 56 G O5' -88.60 -58.60 -69.71 -56.57 -61.32 2.03 2 0 "[ . 1]" 176 . 1 55 A O3' 1 56 G P 1 56 G O5' 1 56 G C5' -77.10 -47.10 -178.59 -179.68 -177.60 102.58 7 10 [******+-**] 177 . 1 56 G P 1 56 G O5' 1 56 G C5' 1 56 G C4' 165.10 -164.90 -163.55 166.37 -140.18 24.72 6 4 "[ -.+* *1]" 178 . 1 56 G O5' 1 56 G C5' 1 56 G C4' 1 56 G C3' 32.44 62.44 145.90 140.66 151.21 88.77 1 10 [+********-] 179 . 1 56 G C5' 1 56 G C4' 1 56 G C3' 1 56 G O3' 68.45 98.45 104.67 88.66 114.14 15.69 1 7 "[+ **-* **1]" 180 . 1 56 G C4' 1 56 G C3' 1 56 G O3' 1 57 A P -166.70 -136.70 -138.59 -115.17 -145.40 39.59 10 2 "[ - . +]" 181 . 1 56 G C3' 1 56 G O3' 1 57 A P 1 57 A O5' -88.60 -58.60 -89.65 -63.78 -89.19 12.40 9 7 "[* -*.***+1]" 182 . 1 56 G O3' 1 57 A P 1 57 A O5' 1 57 A C5' -77.10 -47.10 95.00 103.21 95.45 156.07 2 10 [*+****-***] 183 . 1 57 A P 1 57 A O5' 1 57 A C5' 1 57 A C4' 165.10 -164.90 -158.33 -157.64 -160.92 25.41 10 4 "[ * * - +]" 184 . 1 57 A O5' 1 57 A C5' 1 57 A C4' 1 57 A C3' 32.44 62.44 -154.87 -166.01 -144.12 153.44 7 10 [*-****+***] 185 . 1 57 A C5' 1 57 A C4' 1 57 A C3' 1 57 A O3' 68.45 98.45 92.70 86.61 95.63 . . 0 "[ . 1]" 186 . 1 57 A C4' 1 57 A C3' 1 57 A O3' 1 58 G P -166.70 -136.70 -158.16 -146.74 -154.18 0.27 5 0 "[ . 1]" 187 . 1 57 A C3' 1 57 A O3' 1 58 G P 1 58 G O5' -88.60 -58.60 -71.71 -76.70 -65.00 . . 0 "[ . 1]" 188 . 1 57 A O3' 1 58 G P 1 58 G O5' 1 58 G C5' -77.10 -47.10 -73.26 -84.20 -87.74 10.64 1 2 "[+- . 1]" 189 . 1 58 G P 1 58 G O5' 1 58 G C5' 1 58 G C4' 165.10 -164.90 165.34 150.71 174.65 14.39 2 2 "[ + . -]" 190 . 1 58 G O5' 1 58 G C5' 1 58 G C4' 1 58 G C3' 32.44 62.44 76.54 91.70 89.26 29.85 2 9 "[*+ ***-***]" 191 . 1 58 G C5' 1 58 G C4' 1 58 G C3' 1 58 G O3' 68.45 98.45 98.01 95.63 94.53 2.62 3 0 "[ . 1]" 192 . 1 58 G C4' 1 58 G C3' 1 58 G O3' 1 59 A P -166.70 -136.70 170.74 160.34 -178.77 32.96 2 10 [-+********] 193 . 1 58 G C3' 1 58 G O3' 1 59 A P 1 59 A O5' -88.60 -58.60 -98.59 -101.20 -80.15 12.60 10 9 "[ *******-+]" 194 . 1 58 G O3' 1 59 A P 1 59 A O5' 1 59 A C5' -77.10 -47.10 146.27 144.62 147.00 138.28 2 10 [*+-*******] 195 . 1 59 A P 1 59 A O5' 1 59 A C5' 1 59 A C4' 165.10 -164.90 -159.87 -160.45 -164.17 6.42 6 6 "[ *-+***1]" 196 . 1 59 A O5' 1 59 A C5' 1 59 A C4' 1 59 A C3' 32.44 62.44 -169.69 -159.91 -170.03 139.74 2 10 [*+-*******] 197 . 1 59 A C5' 1 59 A C4' 1 59 A C3' 1 59 A O3' 68.45 98.45 103.35 116.42 102.07 23.52 2 2 "[ + . -]" 198 . 1 59 A C4' 1 59 A C3' 1 59 A O3' 1 44 C P -166.70 -136.70 107.23 111.76 107.93 95.88 5 10 [*-**+*****] 199 . 1 59 A C3' 1 59 A O3' 1 60 U P 1 60 U O5' -88.60 -58.60 -73.07 -79.23 -67.40 . . 0 "[ . 1]" 200 . 1 59 A O3' 1 60 U P 1 60 U O5' 1 60 U C5' -77.10 -47.10 140.52 103.40 151.22 150.63 2 10 [*+-*******] 201 . 1 60 U P 1 60 U O5' 1 60 U C5' 1 60 U C4' 165.10 -164.90 -152.43 -141.47 -148.74 27.29 10 9 "[ ****-***+]" 202 . 1 60 U O5' 1 60 U C5' 1 60 U C4' 1 60 U C3' 32.44 62.44 174.48 -157.90 169.43 144.00 2 10 [*+-*******] 203 . 1 60 U C5' 1 60 U C4' 1 60 U C3' 1 60 U O3' 68.45 98.45 95.15 94.52 91.27 . . 0 "[ . 1]" 204 . 1 60 U C4' 1 60 U C3' 1 60 U O3' 1 61 U P -166.70 -136.70 -155.21 -155.57 -156.25 . . 0 "[ . 1]" 205 . 1 60 U C3' 1 60 U O3' 1 61 U P 1 61 U O5' -88.60 -58.60 -92.30 -95.85 -98.24 9.83 3 6 "[*-+ * **]" 206 . 1 60 U O3' 1 61 U P 1 61 U O5' 1 61 U C5' -77.10 -47.10 125.92 125.31 126.50 157.59 7 10 [****-*+***] 207 . 1 61 U P 1 61 U O5' 1 61 U C5' 1 61 U C4' 165.10 -164.90 -145.59 -145.11 -146.80 21.80 8 10 [**-****+**] 208 . 1 61 U O5' 1 61 U C5' 1 61 U C4' 1 61 U C3' 32.44 62.44 -165.02 -165.20 -168.00 136.06 2 10 [*+-*******] 209 . 1 61 U C5' 1 61 U C4' 1 61 U C3' 1 61 U O3' 68.45 98.45 95.17 99.48 96.64 1.03 2 0 "[ . 1]" 210 . 1 61 U C4' 1 61 U C3' 1 61 U O3' 1 62 U P -166.70 -136.70 -141.79 -145.76 -131.94 4.76 10 0 "[ . 1]" 211 . 1 61 U C3' 1 61 U O3' 1 62 U P 1 62 U O5' -88.60 -58.60 -63.27 -70.32 -50.76 7.84 1 3 "[+ - . *]" 212 . 1 61 U O3' 1 62 U P 1 62 U O5' 1 62 U C5' -77.10 -47.10 -68.22 -70.28 -65.25 . . 0 "[ . 1]" 213 . 1 62 U P 1 62 U O5' 1 62 U C5' 1 62 U C4' 165.10 -164.90 171.03 168.47 177.28 . . 0 "[ . 1]" 214 . 1 62 U O5' 1 62 U C5' 1 62 U C4' 1 62 U C3' 32.44 62.44 47.07 45.73 48.04 . . 0 "[ . 1]" 215 . 1 62 U C5' 1 62 U C4' 1 62 U C3' 1 62 U O3' 68.45 98.45 93.99 92.24 97.08 . . 0 "[ . 1]" 216 . 1 62 U C4' 1 62 U C3' 1 62 U O3' 1 63 C P -166.70 -136.70 -165.00 -157.51 -159.61 5.82 7 1 "[ . + 1]" 217 . 1 62 U C3' 1 62 U O3' 1 63 C P 1 63 C O5' -88.60 -58.60 -85.89 -94.63 -77.70 6.03 2 3 "[*+ . -]" 218 . 1 62 U O3' 1 63 C P 1 63 C O5' 1 63 C C5' -77.10 -47.10 142.24 138.94 136.68 150.26 10 10 [********-+] 219 . 1 63 C P 1 63 C O5' 1 63 C C5' 1 63 C C4' 165.10 -164.90 -167.80 177.43 -155.54 9.36 1 3 "[+ - . *]" 220 . 1 63 C O5' 1 63 C C5' 1 63 C C4' 1 63 C C3' 32.44 62.44 175.21 168.88 -172.88 124.68 10 10 [********-+] 221 . 1 63 C C5' 1 63 C C4' 1 63 C C3' 1 63 C O3' 68.45 98.45 99.04 95.48 102.03 3.58 6 0 "[ . 1]" 222 . 1 68 G P 1 68 G O5' 1 68 G C5' 1 68 G C4' 165.10 -164.90 169.96 175.72 173.59 6.71 8 1 "[ . + 1]" 223 . 1 68 G O5' 1 68 G C5' 1 68 G C4' 1 68 G C3' 32.44 62.44 85.57 88.00 74.62 42.91 8 9 [-******+*1] 224 . 1 68 G C5' 1 68 G C4' 1 68 G C3' 1 68 G O3' 68.45 98.45 96.05 93.66 92.69 3.93 8 0 "[ . 1]" 225 . 1 68 G C4' 1 68 G C3' 1 68 G O3' 1 69 G P -166.70 -136.70 -170.34 -164.50 -164.87 10.87 4 4 "[ +* * -1]" 226 . 1 68 G C3' 1 68 G O3' 1 69 G P 1 69 G O5' -88.60 -58.60 -88.81 -91.34 -94.81 6.61 1 3 "[+ - . *]" 227 . 1 68 G O3' 1 69 G P 1 69 G O5' 1 69 G C5' -77.10 -47.10 142.10 127.87 159.06 155.03 6 10 [***-*+****] 228 . 1 69 G P 1 69 G O5' 1 69 G C5' 1 69 G C4' 165.10 -164.90 -151.78 -145.08 -145.10 24.43 8 8 "[****.* +-*]" 229 . 1 69 G O5' 1 69 G C5' 1 69 G C4' 1 69 G C3' 32.44 62.44 -170.46 -159.66 -163.97 139.40 10 10 [*******-*+] 230 . 1 69 G C5' 1 69 G C4' 1 69 G C3' 1 69 G O3' 68.45 98.45 96.77 94.81 92.70 4.04 10 0 "[ . 1]" 231 . 1 69 G C4' 1 69 G C3' 1 69 G O3' 1 70 A P -166.70 -136.70 -147.80 -147.89 -150.76 . . 0 "[ . 1]" 232 . 1 69 G C3' 1 69 G O3' 1 70 A P 1 70 A O5' -88.60 -58.60 -69.11 -69.07 -72.15 6.33 10 1 "[ . +]" 233 . 1 69 G O3' 1 70 A P 1 70 A O5' 1 70 A C5' -77.10 -47.10 -77.43 -78.73 -90.15 27.15 10 2 "[- . +]" 234 . 1 70 A P 1 70 A O5' 1 70 A C5' 1 70 A C4' 165.10 -164.90 174.61 169.32 -166.01 . . 0 "[ . 1]" 235 . 1 70 A O5' 1 70 A C5' 1 70 A C4' 1 70 A C3' 32.44 62.44 55.95 53.00 49.74 . . 0 "[ . 1]" 236 . 1 70 A C5' 1 70 A C4' 1 70 A C3' 1 70 A O3' 68.45 98.45 93.11 92.84 92.34 . . 0 "[ . 1]" 237 . 1 70 A C4' 1 70 A C3' 1 70 A O3' 1 71 A P -166.70 -136.70 -165.98 -172.33 -159.90 5.63 10 1 "[ . +]" 238 . 1 70 A C3' 1 70 A O3' 1 71 A P 1 71 A O5' -88.60 -58.60 -80.54 -72.92 -79.39 1.94 1 0 "[ . 1]" 239 . 1 70 A O3' 1 71 A P 1 71 A O5' 1 71 A C5' -77.10 -47.10 148.66 147.77 150.36 135.13 7 10 [-*****+***] 240 . 1 71 A P 1 71 A O5' 1 71 A C5' 1 71 A C4' 165.10 -164.90 -161.07 -177.55 -137.64 27.26 7 4 "[* * - + 1]" 241 . 1 71 A O5' 1 71 A C5' 1 71 A C4' 1 71 A C3' 32.44 62.44 172.68 170.07 177.05 114.61 7 10 [******+-**] 242 . 1 71 A C5' 1 71 A C4' 1 71 A C3' 1 71 A O3' 68.45 98.45 93.55 92.21 96.89 . . 0 "[ . 1]" 243 . 1 71 A C4' 1 71 A C3' 1 71 A O3' 1 72 U P -166.70 -136.70 -146.31 -148.01 -145.41 . . 0 "[ . 1]" 244 . 1 71 A C3' 1 71 A O3' 1 72 U P 1 72 U O5' -88.60 -58.60 -82.64 -93.41 -75.50 4.81 2 0 "[ . 1]" 245 . 1 71 A O3' 1 72 U P 1 72 U O5' 1 72 U C5' -77.10 -47.10 -66.68 -62.85 -63.19 5.89 7 1 "[ . + 1]" 246 . 1 72 U P 1 72 U O5' 1 72 U C5' 1 72 U C4' 165.10 -164.90 165.05 152.00 172.85 13.10 2 2 "[ + . -]" 247 . 1 72 U O5' 1 72 U C5' 1 72 U C4' 1 72 U C3' 32.44 62.44 59.24 75.70 56.49 13.62 2 2 "[ + . -]" 248 . 1 72 U C5' 1 72 U C4' 1 72 U C3' 1 72 U O3' 68.45 98.45 92.92 95.22 94.57 . . 0 "[ . 1]" 249 . 1 72 U C4' 1 72 U C3' 1 72 U O3' 1 73 C P -166.70 -136.70 -174.67 -176.50 -172.35 9.80 2 10 [*+-*******] 250 . 1 72 U C3' 1 72 U O3' 1 73 C P 1 73 C O5' -88.60 -58.60 -75.18 -84.61 -70.45 . . 0 "[ . 1]" 251 . 1 72 U O3' 1 73 C P 1 73 C O5' 1 73 C C5' -77.10 -47.10 127.52 134.72 133.24 161.93 7 10 [*-****+***] 252 . 1 73 C P 1 73 C O5' 1 73 C C5' 1 73 C C4' 165.10 -164.90 -160.79 -149.79 -154.62 15.80 2 4 "[ + - * *]" 253 . 1 73 C O5' 1 73 C C5' 1 73 C C4' 1 73 C C3' 32.44 62.44 -153.14 -143.30 -151.02 157.68 10 10 [****-****+] 254 . 1 73 C C5' 1 73 C C4' 1 73 C C3' 1 73 C O3' 68.45 98.45 95.74 99.23 95.93 3.65 2 0 "[ . 1]" 255 . 1 73 C C4' 1 73 C C3' 1 73 C O3' 1 74 U P -166.70 -136.70 -144.13 -144.23 -144.58 . . 0 "[ . 1]" 256 . 1 73 C C3' 1 73 C O3' 1 74 U P 1 74 U O5' -88.60 -58.60 -27.93 -45.10 -15.21 43.39 4 10 [***+*****-] 257 . 1 73 C O3' 1 74 U P 1 74 U O5' 1 74 U C5' -77.10 -47.10 -126.05 -117.08 -124.06 62.29 3 10 [*-+*******] 258 . 1 74 U P 1 74 U O5' 1 74 U C5' 1 74 U C4' 165.10 -164.90 91.72 107.46 83.84 94.05 4 10 [*-*+******] 259 . 1 74 U O5' 1 74 U C5' 1 74 U C4' 1 74 U C3' 32.44 62.44 159.19 144.95 170.54 108.10 4 10 [*-*+******] 260 . 1 74 U C5' 1 74 U C4' 1 74 U C3' 1 74 U O3' 68.45 98.45 102.15 120.10 99.33 25.06 10 2 "[ - . +]" 261 . 1 74 U C4' 1 74 U C3' 1 74 U O3' 1 75 C P -166.70 -136.70 -134.90 -158.48 -117.76 18.94 8 6 "[* **- +*1]" 262 . 1 74 U C3' 1 74 U O3' 1 75 C P 1 75 C O5' -88.60 -58.60 -56.88 -4.22 -63.01 58.90 2 2 "[ + . -]" 263 . 1 74 U O3' 1 75 C P 1 75 C O5' 1 75 C C5' -77.10 -47.10 -65.97 -25.23 -65.25 29.92 5 3 "[ - + *]" 264 . 1 75 C P 1 75 C O5' 1 75 C C5' 1 75 C C4' 165.10 -164.90 174.10 -139.94 171.56 28.10 10 5 "[** - *+]" 265 . 1 75 C O5' 1 75 C C5' 1 75 C C4' 1 75 C C3' 32.44 62.44 75.34 136.93 88.30 79.33 2 3 "[ + - *]" 266 . 1 75 C C5' 1 75 C C4' 1 75 C C3' 1 75 C O3' 68.45 98.45 93.61 108.94 98.65 10.49 2 1 "[ + . 1]" 267 . 1 75 C C4' 1 75 C C3' 1 75 C O3' 1 76 U P -166.70 -136.70 -158.28 -145.05 -160.63 1.10 10 0 "[ . 1]" 268 . 1 75 C C3' 1 75 C O3' 1 76 U P 1 76 U O5' -88.60 -58.60 -73.94 -103.81 -65.51 15.21 10 2 "[ - . +]" 269 . 1 75 C O3' 1 76 U P 1 76 U O5' 1 76 U C5' -77.10 -47.10 -72.43 -40.09 -62.94 7.01 2 1 "[ + . 1]" 270 . 1 76 U P 1 76 U O5' 1 76 U C5' 1 76 U C4' 165.10 -164.90 172.36 149.60 -179.75 15.50 2 2 "[ + . -]" 271 . 1 76 U O5' 1 76 U C5' 1 76 U C4' 1 76 U C3' 32.44 62.44 59.42 61.84 57.95 7.85 10 1 "[ . +]" 272 . 1 76 U C5' 1 76 U C4' 1 76 U C3' 1 76 U O3' 68.45 98.45 91.66 100.41 92.47 4.38 10 0 "[ . 1]" 273 . 1 76 U C4' 1 76 U C3' 1 76 U O3' 1 77 U P -166.70 -136.70 -166.02 -162.90 -164.08 2.97 4 0 "[ . 1]" 274 . 1 76 U C3' 1 76 U O3' 1 77 U P 1 77 U O5' -88.60 -58.60 -58.72 -44.53 -59.97 14.81 10 2 "[ - . +]" 275 . 1 76 U O3' 1 77 U P 1 77 U O5' 1 77 U C5' -77.10 -47.10 -82.86 -81.17 -82.52 13.41 4 6 "[* +-** *]" 276 . 1 77 U P 1 77 U O5' 1 77 U C5' 1 77 U C4' 165.10 -164.90 179.80 168.06 -163.09 1.81 10 0 "[ . 1]" 277 . 1 77 U O5' 1 77 U C5' 1 77 U C4' 1 77 U C3' 32.44 62.44 64.02 64.90 59.39 15.18 2 3 "[ + -. *]" 278 . 1 77 U C5' 1 77 U C4' 1 77 U C3' 1 77 U O3' 68.45 98.45 94.15 96.82 94.23 6.50 10 1 "[ . +]" 279 . 1 77 U C4' 1 77 U C3' 1 77 U O3' 1 78 U P -166.70 -136.70 -171.17 -174.14 -163.41 7.44 6 7 "[ * *+***-]" 280 . 1 77 U C3' 1 77 U O3' 1 78 U P 1 78 U O5' -88.60 -58.60 -81.69 -79.23 -97.85 9.46 4 2 "[- +. 1]" 281 . 1 77 U O3' 1 78 U P 1 78 U O5' 1 78 U C5' -77.10 -47.10 125.46 120.96 114.36 161.94 7 10 [******+**-] 282 . 1 78 U P 1 78 U O5' 1 78 U C5' 1 78 U C4' 165.10 -164.90 -168.73 -175.68 -159.66 5.24 10 1 "[ . +]" 283 . 1 78 U O5' 1 78 U C5' 1 78 U C4' 1 78 U C3' 32.44 62.44 -165.45 -169.68 -160.59 136.97 4 10 [**-+******] 284 . 1 78 U C5' 1 78 U C4' 1 78 U C3' 1 78 U O3' 68.45 98.45 91.68 99.34 93.49 0.89 2 0 "[ . 1]" 285 . 1 87 G P 1 87 G O5' 1 87 G C5' 1 87 G C4' 165.10 -164.90 -90.06 -125.04 -63.10 101.80 4 10 [***+***-**] 286 . 1 87 G O5' 1 87 G C5' 1 87 G C4' 1 87 G C3' 32.44 62.44 -121.07 -134.76 -109.26 162.80 2 10 [*+***-****] 287 . 1 87 G C5' 1 87 G C4' 1 87 G C3' 1 87 G O3' 68.45 98.45 95.72 95.14 90.03 4.05 8 0 "[ . 1]" 288 . 1 87 G C4' 1 87 G C3' 1 87 G O3' 1 88 C P -166.70 -136.70 -151.63 -168.12 -119.78 16.92 4 1 "[ +. 1]" 289 . 1 87 G C3' 1 87 G O3' 1 88 C P 1 88 C O5' -88.60 -58.60 -55.92 -76.31 -28.40 30.20 1 2 "[+ - . 1]" 290 . 1 87 G O3' 1 88 C P 1 88 C O5' 1 88 C C5' -77.10 -47.10 -111.31 -125.06 -82.20 47.96 3 10 [**+-******] 291 . 1 88 C P 1 88 C O5' 1 88 C C5' 1 88 C C4' 165.10 -164.90 125.98 143.70 123.92 61.29 4 10 [*-*+******] 292 . 1 88 C O5' 1 88 C C5' 1 88 C C4' 1 88 C C3' 32.44 62.44 157.52 143.68 171.73 109.29 4 10 [*-*+******] 293 . 1 88 C C5' 1 88 C C4' 1 88 C C3' 1 88 C O3' 68.45 98.45 87.44 88.41 87.80 . . 0 "[ . 1]" 294 . 1 88 C C4' 1 88 C C3' 1 88 C O3' 1 89 U P -166.70 -136.70 -138.34 -139.73 -137.10 . . 0 "[ . 1]" 295 . 1 88 C C3' 1 88 C O3' 1 89 U P 1 89 U O5' -88.60 -58.60 -75.33 -75.65 -78.80 . . 0 "[ . 1]" 296 . 1 88 C O3' 1 89 U P 1 89 U O5' 1 89 U C5' -77.10 -47.10 -72.15 -90.97 -61.61 13.87 3 1 "[ + . 1]" 297 . 1 89 U P 1 89 U O5' 1 89 U C5' 1 89 U C4' 165.10 -164.90 168.94 167.93 165.86 4.30 4 0 "[ . 1]" 298 . 1 89 U O5' 1 89 U C5' 1 89 U C4' 1 89 U C3' 32.44 62.44 56.28 55.09 58.41 . . 0 "[ . 1]" 299 . 1 89 U C5' 1 89 U C4' 1 89 U C3' 1 89 U O3' 68.45 98.45 99.11 99.62 92.02 6.99 10 3 "[ - . *+]" 300 . 1 92 G P 1 92 G O5' 1 92 G C5' 1 92 G C4' 165.10 -164.90 -15.25 -14.76 -17.03 150.14 2 10 [*+**-*****] 301 . 1 92 G O5' 1 92 G C5' 1 92 G C4' 1 92 G C3' 32.44 62.44 -162.85 -177.63 -148.65 148.91 7 10 [****-*+***] 302 . 1 92 G C5' 1 92 G C4' 1 92 G C3' 1 92 G O3' 68.45 98.45 97.65 95.18 93.13 1.44 3 0 "[ . 1]" 303 . 1 92 G C4' 1 92 G C3' 1 92 G O3' 1 93 A P -166.70 -136.70 -158.47 -165.40 -154.91 . . 0 "[ . 1]" 304 . 1 92 G C3' 1 92 G O3' 1 93 A P 1 93 A O5' -88.60 -58.60 -72.49 -69.29 -70.55 . . 0 "[ . 1]" 305 . 1 92 G O3' 1 93 A P 1 93 A O5' 1 93 A C5' -77.10 -47.10 -67.88 -72.59 -64.70 . . 0 "[ . 1]" 306 . 1 93 A P 1 93 A O5' 1 93 A C5' 1 93 A C4' 165.10 -164.90 173.31 171.01 177.65 . . 0 "[ . 1]" 307 . 1 93 A O5' 1 93 A C5' 1 93 A C4' 1 93 A C3' 32.44 62.44 56.94 65.58 59.06 3.14 2 0 "[ . 1]" 308 . 1 93 A C5' 1 93 A C4' 1 93 A C3' 1 93 A O3' 68.45 98.45 93.31 88.85 95.96 . . 0 "[ . 1]" 309 . 1 93 A C4' 1 93 A C3' 1 93 A O3' 1 94 U P -166.70 -136.70 -155.61 -159.89 -151.04 . . 0 "[ . 1]" 310 . 1 93 A C3' 1 93 A O3' 1 94 U P 1 94 U O5' -88.60 -58.60 -68.81 -71.94 -63.37 . . 0 "[ . 1]" 311 . 1 93 A O3' 1 94 U P 1 94 U O5' 1 94 U C5' -77.10 -47.10 -78.16 -76.72 -79.72 11.06 4 2 "[ +. -1]" 312 . 1 94 U P 1 94 U O5' 1 94 U C5' 1 94 U C4' 165.10 -164.90 175.07 169.18 178.32 . . 0 "[ . 1]" 313 . 1 94 U O5' 1 94 U C5' 1 94 U C4' 1 94 U C3' 32.44 62.44 58.53 61.96 55.75 7.23 9 1 "[ . +1]" 314 . 1 94 U C5' 1 94 U C4' 1 94 U C3' 1 94 U O3' 68.45 98.45 92.59 90.92 93.72 . . 0 "[ . 1]" 315 . 1 94 U C4' 1 94 U C3' 1 94 U O3' 1 95 C P -166.70 -136.70 -159.92 -163.52 -157.33 . . 0 "[ . 1]" 316 . 1 94 U C3' 1 94 U O3' 1 95 C P 1 95 C O5' -88.60 -58.60 -76.69 -82.85 -72.38 . . 0 "[ . 1]" 317 . 1 94 U O3' 1 95 C P 1 95 C O5' 1 95 C C5' -77.10 -47.10 -83.36 -81.76 -82.29 10.98 8 6 "[- *.**+*1]" 318 . 1 95 C P 1 95 C O5' 1 95 C C5' 1 95 C C4' 165.10 -164.90 172.74 179.61 174.64 3.02 5 0 "[ . 1]" 319 . 1 95 C O5' 1 95 C C5' 1 95 C C4' 1 95 C C3' 32.44 62.44 61.85 35.55 73.45 11.01 6 5 "[ ***+- 1]" 320 . 1 95 C C5' 1 95 C C4' 1 95 C C3' 1 95 C O3' 68.45 98.45 93.09 94.93 94.87 . . 0 "[ . 1]" 321 . 1 95 C C4' 1 95 C C3' 1 95 C O3' 1 96 A P -166.70 -136.70 -162.19 -173.65 -155.96 6.95 2 2 "[ + . -]" 322 . 1 95 C C3' 1 95 C O3' 1 96 A P 1 96 A O5' -88.60 -58.60 -89.76 -82.21 -87.67 7.17 1 3 "[+ - . * 1]" 323 . 1 95 C O3' 1 96 A P 1 96 A O5' 1 96 A C5' -77.10 -47.10 105.25 114.05 103.86 161.15 2 10 [*+******-*] 324 . 1 96 A P 1 96 A O5' 1 96 A C5' 1 96 A C4' 165.10 -164.90 -175.90 -171.58 178.93 24.27 9 2 "[ . -+1]" 325 . 1 96 A O5' 1 96 A C5' 1 96 A C4' 1 96 A C3' 32.44 62.44 -149.25 -129.66 -142.34 162.10 9 10 [***-****+*] 326 . 1 96 A C5' 1 96 A C4' 1 96 A C3' 1 96 A O3' 68.45 98.45 96.60 96.16 94.04 6.73 6 2 "[ .+- 1]" 327 . 1 103 G P 1 103 G O5' 1 103 G C5' 1 103 G C4' 165.10 -164.90 125.92 162.38 123.45 50.32 1 8 "[+ *****-*1]" 328 . 1 103 G O5' 1 103 G C5' 1 103 G C4' 1 103 G C3' 32.44 62.44 72.16 79.43 73.09 19.14 7 8 "[ * ***+*-*]" 329 . 1 103 G C5' 1 103 G C4' 1 103 G C3' 1 103 G O3' 68.45 98.45 101.31 101.00 97.93 10.82 6 3 "[ *- .+ 1]" 330 . 1 103 G C4' 1 103 G C3' 1 103 G O3' 1 104 U P -166.70 -136.70 -163.57 -165.97 -158.43 . . 0 "[ . 1]" 331 . 1 103 G C3' 1 103 G O3' 1 104 U P 1 104 U O5' -88.60 -58.60 -91.88 -88.95 -91.24 13.67 7 5 "[* -*. + *1]" 332 . 1 103 G O3' 1 104 U P 1 104 U O5' 1 104 U C5' -77.10 -47.10 146.46 122.78 151.04 160.12 10 10 [******-**+] 333 . 1 104 U P 1 104 U O5' 1 104 U C5' 1 104 U C4' 165.10 -164.90 -142.17 -141.34 -149.02 31.10 10 10 [****-****+] 334 . 1 104 U O5' 1 104 U C5' 1 104 U C4' 1 104 U C3' 32.44 62.44 174.98 166.06 -158.63 138.93 10 10 [*******-*+] 335 . 1 104 U C5' 1 104 U C4' 1 104 U C3' 1 104 U O3' 68.45 98.45 104.14 95.91 109.19 10.74 6 6 "[ **.+*-*1]" 336 . 1 104 U C4' 1 104 U C3' 1 104 U O3' 1 105 A P -166.70 -136.70 -147.30 -158.13 -141.41 . . 0 "[ . 1]" 337 . 1 104 U C3' 1 104 U O3' 1 105 A P 1 105 A O5' -88.60 -58.60 -82.61 -57.75 -84.75 6.16 10 2 "[- . +]" 338 . 1 104 U O3' 1 105 A P 1 105 A O5' 1 105 A C5' -77.10 -47.10 -69.49 -89.95 -54.54 12.85 10 2 "[ - . +]" 339 . 1 105 A P 1 105 A O5' 1 105 A C5' 1 105 A C4' 165.10 -164.90 165.93 174.39 167.47 7.52 7 1 "[ . + 1]" 340 . 1 105 A O5' 1 105 A C5' 1 105 A C4' 1 105 A C3' 32.44 62.44 55.28 48.54 64.34 1.90 7 0 "[ . 1]" 341 . 1 105 A C5' 1 105 A C4' 1 105 A C3' 1 105 A O3' 68.45 98.45 98.33 98.45 97.77 2.85 7 0 "[ . 1]" 342 . 1 105 A C4' 1 105 A C3' 1 105 A O3' 1 106 U P -166.70 -136.70 -170.08 -161.41 -168.10 6.79 5 5 "[* +** -1]" 343 . 1 105 A C3' 1 105 A O3' 1 106 U P 1 106 U O5' -88.60 -58.60 -69.39 -37.01 -73.20 25.25 2 2 "[ + . -]" 344 . 1 105 A O3' 1 106 U P 1 106 U O5' 1 106 U C5' -77.10 -47.10 130.80 125.28 151.33 157.62 10 10 [****-****+] 345 . 1 106 U P 1 106 U O5' 1 106 U C5' 1 106 U C4' 165.10 -164.90 -177.44 150.79 -160.49 14.31 2 1 "[ + . 1]" 346 . 1 106 U O5' 1 106 U C5' 1 106 U C4' 1 106 U C3' 32.44 62.44 -162.38 166.19 -145.60 151.96 3 10 [**+******-] 347 . 1 106 U C5' 1 106 U C4' 1 106 U C3' 1 106 U O3' 68.45 98.45 99.23 138.28 114.75 39.83 2 2 "[ + . -]" 348 . 1 108 U P 1 108 U O5' 1 108 U C5' 1 108 U C4' 165.10 -164.90 66.55 118.47 63.92 123.51 1 10 [+********-] 349 . 1 108 U O5' 1 108 U C5' 1 108 U C4' 1 108 U C3' 32.44 62.44 -177.80 -176.03 -179.46 158.84 10 10 [***-*****+] 350 . 1 108 U C5' 1 108 U C4' 1 108 U C3' 1 108 U O3' 68.45 98.45 96.76 107.26 94.52 12.63 2 2 "[ + . -]" 351 . 1 108 U C4' 1 108 U C3' 1 108 U O3' 1 109 G P -166.70 -136.70 -144.33 -123.18 -138.07 13.52 2 2 "[ + . -]" 352 . 1 108 U C3' 1 108 U O3' 1 109 G P 1 109 G O5' -88.60 -58.60 -61.18 -104.39 -51.67 15.79 2 10 [*+*******-] 353 . 1 108 U O3' 1 109 G P 1 109 G O5' 1 109 G C5' -77.10 -47.10 -66.35 -56.74 -60.95 . . 0 "[ . 1]" 354 . 1 109 G P 1 109 G O5' 1 109 G C5' 1 109 G C4' 165.10 -164.90 166.74 159.09 173.92 6.01 2 1 "[ + . 1]" 355 . 1 109 G O5' 1 109 G C5' 1 109 G C4' 1 109 G C3' 32.44 62.44 57.01 53.63 65.78 3.34 5 0 "[ . 1]" 356 . 1 109 G C5' 1 109 G C4' 1 109 G C3' 1 109 G O3' 68.45 98.45 95.71 109.37 101.96 10.92 2 1 "[ + . 1]" 357 . 1 109 G C4' 1 109 G C3' 1 109 G O3' 1 110 U P -166.70 -136.70 -149.70 -116.45 -153.45 37.92 2 2 "[ + . -]" 358 . 1 109 G C3' 1 109 G O3' 1 110 U P 1 110 U O5' -88.60 -58.60 -102.56 -111.82 -96.84 23.22 10 10 [-********+] 359 . 1 109 G O3' 1 110 U P 1 110 U O5' 1 110 U C5' -77.10 -47.10 -86.63 -74.71 -85.10 23.39 3 7 "[- +** ***1]" 360 . 1 110 U P 1 110 U O5' 1 110 U C5' 1 110 U C4' 165.10 -164.90 156.04 136.38 169.28 28.72 2 7 "[*+ -** **]" 361 . 1 110 U O5' 1 110 U C5' 1 110 U C4' 1 110 U C3' 32.44 62.44 84.06 59.89 92.81 30.37 9 8 "[* ***-**+1]" 362 . 1 110 U C5' 1 110 U C4' 1 110 U C3' 1 110 U O3' 68.45 98.45 101.92 92.71 107.08 8.63 3 5 "[ +** -*1]" 363 . 1 110 U C4' 1 110 U C3' 1 110 U O3' 1 111 C P -166.70 -136.70 -166.07 -160.60 -165.95 3.22 6 0 "[ . 1]" 364 . 1 110 U C3' 1 110 U O3' 1 111 C P 1 111 C O5' -88.60 -58.60 -85.23 -77.76 -84.67 1.17 10 0 "[ . 1]" 365 . 1 110 U O3' 1 111 C P 1 111 C O5' 1 111 C C5' -77.10 -47.10 117.71 126.78 120.68 164.89 5 10 [****+****-] 366 . 1 111 C P 1 111 C O5' 1 111 C C5' 1 111 C C4' 165.10 -164.90 -136.35 -155.02 -134.00 30.90 6 10 [*****+***-] 367 . 1 111 C O5' 1 111 C C5' 1 111 C C4' 1 111 C C3' 32.44 62.44 -84.09 -130.14 -70.37 162.58 10 10 [*****-***+] 368 . 1 111 C C5' 1 111 C C4' 1 111 C C3' 1 111 C O3' 68.45 98.45 110.70 105.85 143.66 45.21 10 10 [*-*******+] stop_ save_ save_dihedral_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 160 _TA_constraint_stats_list.Viol_count 941 _TA_constraint_stats_list.Viol_total 115053.63 _TA_constraint_stats_list.Viol_max 52.75 _TA_constraint_stats_list.Viol_rms 10.09 _TA_constraint_stats_list.Viol_average_all_restraints 7.19 _TA_constraint_stats_list.Viol_average_violations_only 12.23 _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 1 G O4' 1 1 G C1' 1 1 G N9 1 1 G C4 -175.00 -145.00 172.74 -163.95 168.24 19.48 8 8 "[* *****+-1]" 2 . 1 2 G O4' 1 2 G C1' 1 2 G N9 1 2 G C4 -175.00 -145.00 -176.03 -142.21 176.75 10.29 3 9 [*-+******1] 3 . 1 2 G O4' 1 2 G C1' 1 2 G C2' 1 2 G C3' -40.00 -10.00 21.00 6.74 25.19 35.19 8 10 [*-*****+**] 4 . 1 2 G C1' 1 2 G C2' 1 2 G C3' 1 2 G C4' 22.00 52.00 -21.23 7.26 -25.93 52.75 6 10 [*-***+****] 5 . 1 3 C O4' 1 3 C C1' 1 3 C N1 1 3 C C2 -175.00 -105.00 -105.36 -155.83 -91.88 13.12 3 8 "[* +***-**1]" 6 . 1 3 C O4' 1 3 C C1' 1 3 C C2' 1 3 C C3' -40.00 -10.00 26.55 -16.53 39.97 49.97 3 8 "[* +***-**1]" 7 . 1 3 C C1' 1 3 C C2' 1 3 C C3' 1 3 C C4' 22.00 52.00 -11.39 24.12 -18.08 43.44 3 8 "[* +***-**1]" 8 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 -175.00 -145.00 -162.58 -158.03 -159.78 . . 0 "[ . 1]" 9 . 1 4 A O4' 1 4 A C1' 1 4 A C2' 1 4 A C3' -40.00 -10.00 -29.94 7.98 -35.68 20.37 2 2 "[ + . -]" 10 . 1 4 A C1' 1 4 A C2' 1 4 A C3' 1 4 A C4' 22.00 52.00 31.65 8.01 39.25 13.99 10 2 "[ - . +]" 11 . 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C4 -175.00 -145.00 -170.33 -155.33 -163.78 3.07 1 0 "[ . 1]" 12 . 1 5 A O4' 1 5 A C1' 1 5 A C2' 1 5 A C3' -40.00 -10.00 -15.67 9.67 -19.34 30.00 10 2 "[ - . +]" 13 . 1 5 A C1' 1 5 A C2' 1 5 A C3' 1 5 A C4' 22.00 52.00 20.29 2.18 25.45 19.82 10 2 "[ - . +]" 14 . 1 6 U O4' 1 6 U C1' 1 6 U N1 1 6 U C2 -175.00 -145.00 -175.06 -174.14 -174.49 10.47 7 2 "[ -. + 1]" 15 . 1 6 U O4' 1 6 U C1' 1 6 U C2' 1 6 U C3' -40.00 -10.00 -11.63 -10.91 -14.15 16.31 10 2 "[ . - +]" 16 . 1 6 U C1' 1 6 U C2' 1 6 U C3' 1 6 U C4' 22.00 52.00 19.29 24.11 20.25 11.76 7 3 "[ * . + -]" 17 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 -175.00 -145.00 -165.07 -163.93 -165.72 0.20 10 0 "[ . 1]" 18 . 1 7 A O4' 1 7 A C1' 1 7 A C2' 1 7 A C3' -40.00 -10.00 2.65 11.38 4.30 24.28 10 10 [*****-***+] 19 . 1 7 A C1' 1 7 A C2' 1 7 A C3' 1 7 A C4' 22.00 52.00 13.91 6.47 19.43 15.53 10 7 "[****. - *+]" 20 . 1 8 C O4' 1 8 C C1' 1 8 C N1 1 8 C C2 -175.00 -145.00 -152.81 -149.64 -150.19 . . 0 "[ . 1]" 21 . 1 14 U O4' 1 14 U C1' 1 14 U N1 1 14 U C2 -175.00 -145.00 -134.41 -148.54 -121.70 23.30 9 8 "[* ***-**+1]" 22 . 1 15 G O4' 1 15 G C1' 1 15 G N9 1 15 G C4 -175.00 -145.00 -165.13 -165.98 -166.81 . . 0 "[ . 1]" 23 . 1 15 G O4' 1 15 G C1' 1 15 G C2' 1 15 G C3' -40.00 -10.00 2.77 19.39 10.07 34.68 2 6 "[*+ . -***]" 24 . 1 15 G C1' 1 15 G C2' 1 15 G C3' 1 15 G C4' 22.00 52.00 5.08 -26.66 24.66 48.66 2 6 "[*+ . -***]" 25 . 1 16 A O4' 1 16 A C1' 1 16 A N9 1 16 A C4 -175.00 -145.00 -138.09 -152.80 -127.00 18.00 1 6 "[+* . **-*]" 26 . 1 16 A O4' 1 16 A C1' 1 16 A C2' 1 16 A C3' -40.00 -10.00 6.57 -7.13 16.33 26.33 1 9 [+*-*.*****] 27 . 1 16 A C1' 1 16 A C2' 1 16 A C3' 1 16 A C4' 22.00 52.00 11.47 10.04 5.37 17.85 7 8 "[** *.-+***]" 28 . 1 17 U O4' 1 17 U C1' 1 17 U N1 1 17 U C2 -175.00 -145.00 -138.48 -150.54 -127.37 17.63 1 6 "[+** .-** 1]" 29 . 1 17 U O4' 1 17 U C1' 1 17 U C2' 1 17 U C3' -40.00 -10.00 6.80 -9.92 16.70 26.70 7 8 "[*-**. +***]" 30 . 1 17 U C1' 1 17 U C2' 1 17 U C3' 1 17 U C4' 22.00 52.00 10.47 10.99 2.09 20.77 7 7 "[*-**. +**1]" 31 . 1 18 C O4' 1 18 C C1' 1 18 C N1 1 18 C C2 -175.00 -145.00 -163.58 -165.80 -161.99 . . 0 "[ . 1]" 32 . 1 19 A O4' 1 19 A C1' 1 19 A N9 1 19 A C4 -175.00 -145.00 -171.49 -170.97 -172.56 1.86 8 0 "[ . 1]" 33 . 1 20 G O4' 1 20 G C1' 1 20 G N9 1 20 G C4 -175.00 -145.00 -162.62 -146.51 -164.95 0.16 10 0 "[ . 1]" 34 . 1 20 G O4' 1 20 G C1' 1 20 G C2' 1 20 G C3' -40.00 -10.00 -2.31 24.96 -4.14 36.41 10 3 "[-* . +]" 35 . 1 20 G C1' 1 20 G C2' 1 20 G C3' 1 20 G C4' 22.00 52.00 14.18 -20.13 23.78 42.13 10 2 "[ - . +]" 36 . 1 21 C O4' 1 21 C C1' 1 21 C N1 1 21 C C2 -175.00 -145.00 -160.70 -159.40 -161.64 5.65 10 1 "[ . +]" 37 . 1 23 G O4' 1 23 G C1' 1 23 G N9 1 23 G C4 -175.00 -145.00 -154.04 -145.22 -149.78 8.36 10 2 "[ - . +]" 38 . 1 24 U O4' 1 24 U C1' 1 24 U N1 1 24 U C2 -175.00 -145.00 -171.03 167.51 -160.86 17.49 2 2 "[ + . -]" 39 . 1 24 U O4' 1 24 U C1' 1 24 U C2' 1 24 U C3' -40.00 -10.00 -7.93 -21.62 4.54 14.54 5 4 "[- +* *1]" 40 . 1 24 U C1' 1 24 U C2' 1 24 U C3' 1 24 U C4' 22.00 52.00 18.09 26.00 19.04 11.89 5 4 "[ +** -1]" 41 . 1 25 U O4' 1 25 U C1' 1 25 U N1 1 25 U C2 -175.00 -145.00 -144.38 -149.39 -137.07 7.93 6 2 "[ - .+ 1]" 42 . 1 25 U O4' 1 25 U C1' 1 25 U C2' 1 25 U C3' -40.00 -10.00 -4.04 -23.23 9.25 19.25 6 6 "[ ***+- *1]" 43 . 1 25 U C1' 1 25 U C2' 1 25 U C3' 1 25 U C4' 22.00 52.00 16.81 28.02 18.90 13.24 6 5 "[ *-*+ *1]" 44 . 1 26 C O4' 1 26 C C1' 1 26 C N1 1 26 C C2 -175.00 -145.00 -152.91 -167.28 -138.89 6.11 6 1 "[ .+ 1]" 45 . 1 26 C O4' 1 26 C C1' 1 26 C C2' 1 26 C C3' -40.00 -10.00 26.69 2.69 32.42 42.42 6 10 [*****+***-] 46 . 1 26 C C1' 1 26 C C2' 1 26 C C3' 1 26 C C4' 22.00 52.00 -9.72 3.06 -10.38 38.68 1 10 [+********-] 47 . 1 28 C O4' 1 28 C C1' 1 28 C N1 1 28 C C2 -175.00 -145.00 -169.82 -131.08 -175.58 24.26 2 6 "[ + *- * **]" 48 . 1 28 C O4' 1 28 C C1' 1 28 C C2' 1 28 C C3' -40.00 -10.00 -15.05 -24.03 -7.82 2.18 3 0 "[ . 1]" 49 . 1 28 C C1' 1 28 C C2' 1 28 C C3' 1 28 C C4' 22.00 52.00 3.55 9.60 3.65 27.25 1 8 "[+ ****-**1]" 50 . 1 29 C O4' 1 29 C C1' 1 29 C N1 1 29 C C2 -175.00 -145.00 -141.64 -131.43 -140.16 16.87 10 2 "[ - . +]" 51 . 1 29 C O4' 1 29 C C1' 1 29 C C2' 1 29 C C3' -40.00 -10.00 -7.81 -16.57 0.55 10.55 10 4 "[*- .* +]" 52 . 1 29 C C1' 1 29 C C2' 1 29 C C3' 1 29 C C4' 22.00 52.00 21.00 17.38 17.31 7.12 10 2 "[ .- +]" 53 . 1 30 U O4' 1 30 U C1' 1 30 U N1 1 30 U C2 -175.00 -145.00 -150.48 -142.55 -145.24 2.89 10 0 "[ . 1]" 54 . 1 36 A O4' 1 36 A C1' 1 36 A N9 1 36 A C4 -175.00 -145.00 -138.96 -146.04 -130.35 14.65 10 8 "[** **-**+]" 55 . 1 37 G O4' 1 37 G C1' 1 37 G N9 1 37 G C4 -175.00 -145.00 -164.49 -153.15 -157.44 . . 0 "[ . 1]" 56 . 1 37 G O4' 1 37 G C1' 1 37 G C2' 1 37 G C3' -40.00 -10.00 -14.18 25.32 7.71 35.32 2 2 "[ + . -]" 57 . 1 37 G C1' 1 37 G C2' 1 37 G C3' 1 37 G C4' 22.00 52.00 23.91 -8.82 33.54 30.82 2 2 "[ + . -]" 58 . 1 38 G O4' 1 38 G C1' 1 38 G N9 1 38 G C4 -175.00 -145.00 -142.02 -151.76 -122.66 22.34 10 3 "[ -* +]" 59 . 1 38 G O4' 1 38 G C1' 1 38 G C2' 1 38 G C3' -40.00 -10.00 -10.20 -15.98 22.13 32.13 10 1 "[ . +]" 60 . 1 38 G C1' 1 38 G C2' 1 38 G C3' 1 38 G C4' 22.00 52.00 21.56 25.78 24.92 26.56 10 1 "[ . +]" 61 . 1 41 G O4' 1 41 G C1' 1 41 G N9 1 41 G C4 -175.00 -145.00 -153.33 -139.00 -149.07 6.00 2 1 "[ + . 1]" 62 . 1 41 G O4' 1 41 G C1' 1 41 G C2' 1 41 G C3' -40.00 -10.00 -18.71 -22.55 -12.09 . . 0 "[ . 1]" 63 . 1 41 G C1' 1 41 G C2' 1 41 G C3' 1 41 G C4' 22.00 52.00 29.09 24.63 32.48 . . 0 "[ . 1]" 64 . 1 42 A O4' 1 42 A C1' 1 42 A N9 1 42 A C4 -175.00 -145.00 -152.80 -155.95 -149.94 . . 0 "[ . 1]" 65 . 1 42 A O4' 1 42 A C1' 1 42 A C2' 1 42 A C3' -40.00 -10.00 -10.38 -0.93 -10.29 18.51 5 3 "[ * + -]" 66 . 1 42 A C1' 1 42 A C2' 1 42 A C3' 1 42 A C4' 22.00 52.00 20.16 4.23 25.03 17.77 5 3 "[ - + *]" 67 . 1 43 A O4' 1 43 A C1' 1 43 A N9 1 43 A C4 -175.00 -145.00 -148.22 -142.47 -144.56 3.16 10 0 "[ . 1]" 68 . 1 43 A O4' 1 43 A C1' 1 43 A C2' 1 43 A C3' -40.00 -10.00 -0.31 9.67 4.19 21.00 2 8 "[*+ ***-**]" 69 . 1 43 A C1' 1 43 A C2' 1 43 A C3' 1 43 A C4' 22.00 52.00 15.64 6.22 24.88 15.78 10 5 "[ * .-* *+]" 70 . 1 44 C O4' 1 44 C C1' 1 44 C N1 1 44 C C2 -175.00 -145.00 -165.30 174.17 -152.54 10.83 8 2 "[ . -+ 1]" 71 . 1 53 A O4' 1 53 A C1' 1 53 A N9 1 53 A C4 -175.00 -145.00 -152.17 -152.05 -153.03 1.10 10 0 "[ . 1]" 72 . 1 54 A O4' 1 54 A C1' 1 54 A N9 1 54 A C4 -175.00 -145.00 -161.15 -160.83 -161.51 . . 0 "[ . 1]" 73 . 1 54 A O4' 1 54 A C1' 1 54 A C2' 1 54 A C3' -40.00 -10.00 -0.57 -12.61 5.72 15.72 8 9 [*-*****+*1] 74 . 1 54 A C1' 1 54 A C2' 1 54 A C3' 1 54 A C4' 22.00 52.00 12.74 12.63 9.31 14.75 1 8 "[+ ******-1]" 75 . 1 55 A O4' 1 55 A C1' 1 55 A N9 1 55 A C4 -175.00 -145.00 -170.23 161.21 -160.75 23.79 10 2 "[ - . +]" 76 . 1 55 A O4' 1 55 A C1' 1 55 A C2' 1 55 A C3' -40.00 -10.00 -10.74 -25.32 -2.91 7.09 5 4 "[* * + - 1]" 77 . 1 55 A C1' 1 55 A C2' 1 55 A C3' 1 55 A C4' 22.00 52.00 20.90 23.89 18.55 7.30 3 4 "[* + * - 1]" 78 . 1 56 G O4' 1 56 G C1' 1 56 G N9 1 56 G C4 -175.00 -145.00 -161.97 169.39 -152.94 15.61 10 2 "[ - . +]" 79 . 1 56 G O4' 1 56 G C1' 1 56 G C2' 1 56 G C3' -40.00 -10.00 14.58 -12.83 22.76 32.76 9 8 "[* **-***+1]" 80 . 1 56 G C1' 1 56 G C2' 1 56 G C3' 1 56 G C4' 22.00 52.00 0.88 24.24 -0.19 30.74 1 8 "[+ ****-**1]" 81 . 1 57 A O4' 1 57 A C1' 1 57 A N9 1 57 A C4 -175.00 -145.00 -155.79 -159.10 -154.08 . . 0 "[ . 1]" 82 . 1 57 A O4' 1 57 A C1' 1 57 A C2' 1 57 A C3' -40.00 -10.00 -11.84 -11.50 -12.98 2.91 5 0 "[ . 1]" 83 . 1 57 A C1' 1 57 A C2' 1 57 A C3' 1 57 A C4' 22.00 52.00 24.05 21.94 26.37 0.06 10 0 "[ . 1]" 84 . 1 58 G O4' 1 58 G C1' 1 58 G N9 1 58 G C4 -175.00 -145.00 -151.66 -151.91 -157.18 . . 0 "[ . 1]" 85 . 1 58 G O4' 1 58 G C1' 1 58 G C2' 1 58 G C3' -40.00 -10.00 9.82 7.92 -0.40 22.95 7 10 [-*****+***] 86 . 1 58 G C1' 1 58 G C2' 1 58 G C3' 1 58 G C4' 22.00 52.00 8.21 5.48 16.82 16.52 6 10 [-****+****] 87 . 1 59 A O4' 1 59 A C1' 1 59 A N9 1 59 A C4 -175.00 -145.00 164.06 151.39 176.78 33.61 2 10 [*+-*******] 88 . 1 59 A O4' 1 59 A C1' 1 59 A C2' 1 59 A C3' -40.00 -10.00 -18.74 -22.51 -11.58 . . 0 "[ . 1]" 89 . 1 59 A C1' 1 59 A C2' 1 59 A C3' 1 59 A C4' 22.00 52.00 21.54 9.75 24.46 12.25 2 2 "[ + . -]" 90 . 1 60 U O4' 1 60 U C1' 1 60 U N1 1 60 U C2 -175.00 -145.00 -157.08 -150.32 -155.77 . . 0 "[ . 1]" 91 . 1 60 U O4' 1 60 U C1' 1 60 U C2' 1 60 U C3' -40.00 -10.00 0.94 4.21 1.07 14.88 9 10 [-*******+*] 92 . 1 60 U C1' 1 60 U C2' 1 60 U C3' 1 60 U C4' 22.00 52.00 14.78 11.63 19.34 10.37 9 8 "[ *-*****+1]" 93 . 1 61 U O4' 1 61 U C1' 1 61 U N1 1 61 U C2 -175.00 -145.00 -164.99 -163.34 -163.90 . . 0 "[ . 1]" 94 . 1 61 U O4' 1 61 U C1' 1 61 U C2' 1 61 U C3' -40.00 -10.00 2.15 7.06 -13.72 24.02 2 7 "[ + *-****1]" 95 . 1 61 U C1' 1 61 U C2' 1 61 U C3' 1 61 U C4' 22.00 52.00 14.29 4.46 26.69 17.54 2 7 "[ + ****-*1]" 96 . 1 62 U O4' 1 62 U C1' 1 62 U N1 1 62 U C2 -175.00 -145.00 -126.80 -126.59 -133.73 22.96 2 9 "[ +-*******]" 97 . 1 62 U O4' 1 62 U C1' 1 62 U C2' 1 62 U C3' -40.00 -10.00 -1.64 -0.42 -0.63 11.04 7 9 [****.*+-**] 98 . 1 62 U C1' 1 62 U C2' 1 62 U C3' 1 62 U C4' 22.00 52.00 17.08 15.47 20.28 6.53 7 7 "[-** .*+ **]" 99 . 1 63 C O4' 1 63 C C1' 1 63 C N1 1 63 C C2 -175.00 -145.00 -127.35 -128.14 -131.01 23.23 4 10 [***+*****-] 100 . 1 68 G O4' 1 68 G C1' 1 68 G N9 1 68 G C4 -175.00 -145.00 -153.19 -134.46 -145.20 10.54 2 1 "[ + . 1]" 101 . 1 69 G O4' 1 69 G C1' 1 69 G N9 1 69 G C4 -175.00 -145.00 -177.12 179.00 -169.69 6.00 8 2 "[ .- + 1]" 102 . 1 69 G O4' 1 69 G C1' 1 69 G C2' 1 69 G C3' -40.00 -10.00 0.75 11.40 5.05 25.18 10 8 "[****.*-* +]" 103 . 1 69 G C1' 1 69 G C2' 1 69 G C3' 1 69 G C4' 22.00 52.00 13.94 2.39 22.07 19.61 10 7 "[**-*.* * +]" 104 . 1 70 A O4' 1 70 A C1' 1 70 A N9 1 70 A C4 -175.00 -145.00 -149.72 -148.80 170.09 14.91 1 1 "[+ . 1]" 105 . 1 70 A O4' 1 70 A C1' 1 70 A C2' 1 70 A C3' -40.00 -10.00 -4.40 6.84 0.58 17.08 10 5 "[** *.- +]" 106 . 1 70 A C1' 1 70 A C2' 1 70 A C3' 1 70 A C4' 22.00 52.00 19.31 12.62 23.88 9.38 2 4 "[-+ *. *]" 107 . 1 71 A O4' 1 71 A C1' 1 71 A N9 1 71 A C4 -175.00 -145.00 -162.10 -163.70 -165.68 . . 0 "[ . 1]" 108 . 1 71 A O4' 1 71 A C1' 1 71 A C2' 1 71 A C3' -40.00 -10.00 -4.12 -3.88 -7.43 22.41 7 4 "[ *- . + *]" 109 . 1 71 A C1' 1 71 A C2' 1 71 A C3' 1 71 A C4' 22.00 52.00 18.60 6.83 22.98 15.17 7 3 "[ - . + *]" 110 . 1 72 U O4' 1 72 U C1' 1 72 U N1 1 72 U C2 -175.00 -145.00 -147.15 -155.70 -143.63 1.37 3 0 "[ . 1]" 111 . 1 72 U O4' 1 72 U C1' 1 72 U C2' 1 72 U C3' -40.00 -10.00 0.93 13.34 2.73 26.01 10 10 [****-****+] 112 . 1 72 U C1' 1 72 U C2' 1 72 U C3' 1 72 U C4' 22.00 52.00 16.48 6.19 20.89 15.81 10 3 "[ *- . +]" 113 . 1 73 C O4' 1 73 C C1' 1 73 C N1 1 73 C C2 -175.00 -145.00 -161.80 -169.13 -150.68 . . 0 "[ . 1]" 114 . 1 73 C O4' 1 73 C C1' 1 73 C C2' 1 73 C C3' -40.00 -10.00 -11.40 4.55 -7.93 15.43 10 2 "[ - . +]" 115 . 1 73 C C1' 1 73 C C2' 1 73 C C3' 1 73 C C4' 22.00 52.00 22.17 9.22 27.76 12.78 2 2 "[ + . -]" 116 . 1 74 U O4' 1 74 U C1' 1 74 U N1 1 74 U C2 -175.00 -145.00 -177.18 -170.11 -178.47 13.43 5 5 "[* *+ *-1]" 117 . 1 74 U O4' 1 74 U C1' 1 74 U C2' 1 74 U C3' -40.00 -10.00 -11.84 25.74 -7.32 39.20 10 2 "[ - . +]" 118 . 1 74 U C1' 1 74 U C2' 1 74 U C3' 1 74 U C4' 22.00 52.00 19.52 -13.03 29.72 35.03 10 2 "[ - . +]" 119 . 1 75 C O4' 1 75 C C1' 1 75 C N1 1 75 C C2 -175.00 -145.00 -157.36 -165.45 -145.58 . . 0 "[ . 1]" 120 . 1 75 C O4' 1 75 C C1' 1 75 C C2' 1 75 C C3' -40.00 -10.00 -12.22 -37.15 -5.07 4.93 1 0 "[ . 1]" 121 . 1 75 C C1' 1 75 C C2' 1 75 C C3' 1 75 C C4' 22.00 52.00 24.81 30.98 24.24 0.86 5 0 "[ . 1]" 122 . 1 76 U O4' 1 76 U C1' 1 76 U N1 1 76 U C2 -175.00 -145.00 -145.17 -138.05 -140.09 6.95 2 1 "[ + . 1]" 123 . 1 76 U O4' 1 76 U C1' 1 76 U C2' 1 76 U C3' -40.00 -10.00 -9.29 -26.38 -2.32 7.68 1 3 "[+ -*. 1]" 124 . 1 76 U C1' 1 76 U C2' 1 76 U C3' 1 76 U C4' 22.00 52.00 23.20 26.61 23.94 2.75 4 0 "[ . 1]" 125 . 1 77 U O4' 1 77 U C1' 1 77 U N1 1 77 U C2 -175.00 -145.00 -139.83 -158.14 -133.05 11.95 1 7 "[+ -** ***1]" 126 . 1 77 U O4' 1 77 U C1' 1 77 U C2' 1 77 U C3' -40.00 -10.00 3.65 10.78 10.05 25.22 4 9 [***+-****1] 127 . 1 77 U C1' 1 77 U C2' 1 77 U C3' 1 77 U C4' 22.00 52.00 13.92 4.84 18.58 17.16 4 6 "[** +.** -1]" 128 . 1 78 U O4' 1 78 U C1' 1 78 U N1 1 78 U C2 -175.00 -145.00 -163.23 -164.92 -167.90 . . 0 "[ . 1]" 129 . 1 87 G O4' 1 87 G C1' 1 87 G N9 1 87 G C4 -175.00 -145.00 -168.55 -169.04 -170.77 6.91 10 1 "[ . +]" 130 . 1 88 C O4' 1 88 C C1' 1 88 C N1 1 88 C C2 -175.00 -145.00 -178.60 177.54 173.70 14.07 1 3 "[+ *. - 1]" 131 . 1 88 C O4' 1 88 C C1' 1 88 C C2' 1 88 C C3' -40.00 -10.00 5.60 6.86 6.05 18.60 6 10 [****-+****] 132 . 1 88 C C1' 1 88 C C2' 1 88 C C3' 1 88 C C4' 22.00 52.00 14.10 11.38 16.33 10.62 2 10 [*+*-******] 133 . 1 89 U O4' 1 89 U C1' 1 89 U N1 1 89 U C2 -175.00 -145.00 -136.53 -137.01 -145.38 15.98 2 7 "[ +* .-****]" 134 . 1 92 G O4' 1 92 G C1' 1 92 G N9 1 92 G C4 -175.00 -145.00 -137.66 -130.36 -134.10 16.31 2 8 "[*+* .**-**]" 135 . 1 93 A O4' 1 93 A C1' 1 93 A N9 1 93 A C4 -175.00 -145.00 -139.32 -144.41 -132.84 12.16 5 7 "[* **+** -1]" 136 . 1 93 A O4' 1 93 A C1' 1 93 A C2' 1 93 A C3' -40.00 -10.00 -8.29 -6.55 -7.18 9.33 4 1 "[ +. 1]" 137 . 1 93 A C1' 1 93 A C2' 1 93 A C3' 1 93 A C4' 22.00 52.00 21.40 16.76 24.09 5.24 4 1 "[ +. 1]" 138 . 1 94 U O4' 1 94 U C1' 1 94 U N1 1 94 U C2 -175.00 -145.00 -134.95 -141.50 -129.40 15.60 5 8 "[* **+**- *]" 139 . 1 94 U O4' 1 94 U C1' 1 94 U C2' 1 94 U C3' -40.00 -10.00 1.00 2.41 1.26 14.40 2 10 [*+***-****] 140 . 1 94 U C1' 1 94 U C2' 1 94 U C3' 1 94 U C4' 22.00 52.00 16.29 14.58 18.13 7.42 2 8 "[*+**- ***]" 141 . 1 95 C O4' 1 95 C C1' 1 95 C N1 1 95 C C2 -175.00 -145.00 -137.80 -178.78 -125.56 19.44 1 8 "[+ * *-****]" 142 . 1 95 C O4' 1 95 C C1' 1 95 C C2' 1 95 C C3' -40.00 -10.00 6.20 7.35 6.02 24.50 3 10 [**+******-] 143 . 1 95 C C1' 1 95 C C2' 1 95 C C3' 1 95 C C4' 22.00 52.00 12.57 6.06 17.44 15.94 3 8 "[**+****- 1]" 144 . 1 96 A O4' 1 96 A C1' 1 96 A N9 1 96 A C4 -175.00 -145.00 176.17 -167.60 -175.79 22.28 6 7 "[- ***+* *1]" 145 . 1 103 G O4' 1 103 G C1' 1 103 G N9 1 103 G C4 -175.00 -145.00 -120.72 -141.95 -107.73 37.27 7 9 [*-****+**1] 146 . 1 104 U O4' 1 104 U C1' 1 104 U N1 1 104 U C2 -175.00 -145.00 -149.58 -143.90 -146.03 8.25 7 1 "[ . + 1]" 147 . 1 104 U O4' 1 104 U C1' 1 104 U C2' 1 104 U C3' -40.00 -10.00 8.78 -9.44 13.93 23.93 8 9 [****.*-+**] 148 . 1 104 U C1' 1 104 U C2' 1 104 U C3' 1 104 U C4' 22.00 52.00 4.94 4.54 3.45 21.07 6 9 [****.+-***] 149 . 1 105 A O4' 1 105 A C1' 1 105 A N9 1 105 A C4 -175.00 -145.00 -140.64 -178.89 -131.99 13.01 4 8 "[* *+**-**1]" 150 . 1 105 A O4' 1 105 A C1' 1 105 A C2' 1 105 A C3' -40.00 -10.00 4.79 19.22 10.35 29.78 2 8 "[*+**.- ***]" 151 . 1 105 A C1' 1 105 A C2' 1 105 A C3' 1 105 A C4' 22.00 52.00 10.81 1.41 16.69 20.59 2 10 [*+**-*****] 152 . 1 106 U O4' 1 106 U C1' 1 106 U N1 1 106 U C2 -175.00 -145.00 -175.17 -151.36 -177.90 16.67 9 6 "[* **. *-+1]" 153 . 1 108 U O4' 1 108 U C1' 1 108 U N1 1 108 U C2 -175.00 -145.00 -155.84 175.65 -140.14 9.35 2 1 "[ + . 1]" 154 . 1 109 G O4' 1 109 G C1' 1 109 G N9 1 109 G C4 -175.00 -145.00 -150.53 -153.40 -146.93 . . 0 "[ . 1]" 155 . 1 109 G O4' 1 109 G C1' 1 109 G C2' 1 109 G C3' -40.00 -10.00 -4.63 -19.40 0.49 10.49 5 8 "[* -*+****1]" 156 . 1 109 G C1' 1 109 G C2' 1 109 G C3' 1 109 G C4' 22.00 52.00 17.43 14.80 22.91 7.20 5 4 "[ * *+ - 1]" 157 . 1 110 U O4' 1 110 U C1' 1 110 U N1 1 110 U C2 -175.00 -145.00 -140.54 -138.93 -140.35 6.29 10 2 "[ - . +]" 158 . 1 110 U O4' 1 110 U C1' 1 110 U C2' 1 110 U C3' -40.00 -10.00 -18.21 -20.14 -16.03 . . 0 "[ . 1]" 159 . 1 110 U C1' 1 110 U C2' 1 110 U C3' 1 110 U C4' 22.00 52.00 22.17 25.42 22.45 2.73 3 0 "[ . 1]" 160 . 1 111 C O4' 1 111 C C1' 1 111 C N1 1 111 C C2 -175.00 -145.00 -134.24 -114.87 -135.93 40.69 10 5 "[ * -* *+]" stop_ save_
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