data_6a2i_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6a2i _Structure_validation_residue.Date_analyzed 2019-01-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--O 1.231 0.09 0 N-CA-C 112.593 0.59 . . . . 109.52 112.593 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -77.02 133.84 68.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.901 -0.407 . . . . 111.31 109.901 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.22 149.25 90.64 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.025 1.817 . . . . 109.33 111.088 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.97 134.59 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.089 -0.708 . . . . 66.62 109.089 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.28 103.93 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.082 0.468 . . . . 86.38 110.429 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.71 153.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 65.34 111.981 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -95.39 111.58 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.216 -1.031 . . . . 90.94 108.216 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -63.49 152.43 85.6 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 82.67 111.302 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 -24.68 79.17 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 120.91 1.073 . . . . 97.59 111.079 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.05 70.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.219 0.324 . . . . 112.23 111.349 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -32.22 4.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 116.456 -0.338 . . . . 94.76 113.339 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.05 175.9 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.402 0.519 . . . . 108.21 112.402 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.89 137.36 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.925 -0.768 . . . . 107.48 108.925 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 159.5 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.674 0.99 . . . . 76.41 113.674 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -109.49 91.61 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.494 -0.928 . . . . 86.29 108.494 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.9 mt -111.13 146.64 36.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.19 0.811 . . . . 65.78 113.19 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.21 127.03 54.89 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.94 -0.763 . . . . 71.07 108.94 172.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -73.33 133.85 19.91 Favored 'Trans proline' 0 CA--C 1.519 -0.249 0 O-C-N 122.604 0.792 . . . . 80.74 111.224 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -68.78 -40.16 79.83 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.579 0.549 . . . . 94.08 111.042 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' NZ ' ' OP1' ' C' ' 105' ' ' ' DG' . 22.9 tptm -138.26 136.25 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.879 -0.415 . . . . 89.57 109.879 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.23 149.67 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.43 . . . . 73.86 111.257 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -163.83 175.39 10.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.228 0.455 . . . . 69.76 112.228 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.31 123.55 47.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.689 . . . . 79.69 111.113 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.7 tp -103.92 83.73 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.87 109.795 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -132.98 135.89 26.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 N-CA-C 113.053 0.761 . . . . 68.87 113.053 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.08 177.24 8.46 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.48 2.12 . . . . 82.88 110.834 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' N ' ' OP1' ' C' ' 102' ' ' ' DG' . 22.1 tptt -70.98 126.55 29.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.055 -0.35 . . . . 109.21 110.055 178.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.0 -8.45 78.08 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 114.962 0.745 . . . . 90.69 114.962 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -116.44 164.72 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.04 0.42 . . . . 81.4 112.063 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -83.86 -35.0 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 117.11 111.536 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.84 -141.56 45.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.42 -0.672 . . . . 89.79 111.42 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.12 173.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 74.6 109.98 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.95 125.68 52.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.946 -1.131 . . . . 91.3 107.946 171.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.96 134.98 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.32 111.906 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.92 145.34 18.21 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.162 -0.472 . . . . 65.68 112.144 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -98.99 114.15 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.825 -0.435 . . . . 61.86 109.825 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.1 161.52 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.637 0.606 . . . . 70.18 112.637 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -128.12 116.21 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.68 -0.691 . . . . 85.12 109.409 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.19 113.4 7.85 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 79.56 109.548 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.32 -24.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 120.83 1.02 . . . . 89.0 111.797 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.5 -43.12 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.503 0.502 . . . . 90.71 111.984 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.2 p -114.34 -18.14 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.228 0.825 . . . . 77.89 113.228 -172.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.92 -1.07 89.22 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.412 -0.423 . . . . 69.69 112.133 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -77.31 139.89 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.81 0.67 . . . . 95.37 112.81 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.14 154.11 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 81.33 111.528 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.59 149.0 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 73.76 110.228 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.32 153.62 17.59 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.035 -0.357 . . . . 77.21 110.035 176.09 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -156.72 153.77 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.482 -0.562 . . . . 72.22 109.482 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -72.22 138.24 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.497 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.3 mt -103.05 158.67 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.446 -0.576 . . . . 75.93 109.446 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.76 150.94 50.8 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 120.756 0.971 . . . . 81.04 111.501 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.96 -8.25 42.84 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.001 0.741 . . . . 97.54 113.001 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.16 5.53 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.243 0.46 . . . . 116.58 112.243 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -72.31 133.81 83.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.679 0.622 . . . . 77.45 112.679 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.15 119.43 6.49 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.14 2.56 . . . . 101.2 112.791 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.986 0.422 . . . . 110.03 111.173 179.679 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 120.859 0.144 . . . . 98.7 113.094 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -81.21 129.85 34.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 106.65 110.506 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -66.28 135.6 94.95 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 112.96 0.726 . . . . 126.04 112.96 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -72.28 151.44 54.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 84.0 111.704 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 20' ' ' LEU . 14.7 t -119.22 141.09 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.467 0.48 . . . . 69.35 110.225 -179.623 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.14 115.81 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.715 0.293 . . . . 71.34 110.429 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -133.4 142.42 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.873 0.694 . . . . 66.11 112.873 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.04 113.03 16.83 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.75 -1.204 . . . . 108.03 107.75 169.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -67.49 156.78 87.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 87.71 111.675 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.74 -30.22 65.91 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.069 1.846 . . . . 107.43 111.872 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.64 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.474 0.484 . . . . 116.55 110.89 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.39 -26.63 2.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 116.376 -0.374 . . . . 98.79 113.794 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.0 165.17 23.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.394 0.516 . . . . 113.08 112.394 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -96.25 147.1 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.352 -0.61 . . . . 85.6 109.352 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.43 150.41 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.887 0.375 . . . . 72.48 111.842 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.92 82.24 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.05 -0.523 . . . . 88.97 109.804 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' B' ' 8' ' ' VAL . 86.6 mt -90.87 154.74 19.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 77.41 111.764 -176.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.81 122.63 35.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 79.44 110.275 176.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -57.5 132.42 50.48 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.695 2.93 . . . . 78.49 113.772 -171.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.71 -37.39 87.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.574 0.546 . . . . 97.36 110.149 172.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . 0.462 ' NZ ' ' OP1' ' C' ' 111' ' ' ' DT' . 3.6 tmtp? -151.64 145.77 25.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 82.27 110.136 -177.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.4 134.8 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.383 . . . . 80.85 111.179 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -155.94 162.93 40.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.46 . . . . 69.87 111.898 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 119.72 35.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.523 -0.762 . . . . 74.34 110.615 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 tp -92.73 101.78 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.845 -0.798 . . . . 69.96 108.845 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.02 127.23 5.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 113.817 1.043 . . . . 74.45 113.817 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -62.96 147.51 94.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.188 1.926 . . . . 82.66 109.065 166.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.89 146.97 51.62 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.622 0.601 . . . . 118.12 112.622 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.38 -29.62 11.23 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.025 -0.534 . . . . 105.44 112.363 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -145.33 159.97 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 99.54 111.702 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -77.27 156.89 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.119 -1.067 . . . . 119.14 108.119 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.84 -124.07 3.18 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.017 -1.233 . . . . 73.03 110.017 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.1 167.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.525 -0.546 . . . . 75.87 109.525 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 54' ' ' LEU . 99.5 mttt -105.9 124.17 49.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 70.36 109.295 174.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mm -112.21 132.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.983 -0.553 . . . . 61.23 111.117 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.73 143.79 18.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.859 -0.609 . . . . 67.78 111.607 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.21 122.63 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.3 -0.63 . . . . 83.02 109.3 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.94 153.16 34.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.267 0.469 . . . . 67.87 112.267 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -115.07 120.04 38.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.17 -1.048 . . . . 109.09 108.17 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -68.91 113.78 18.54 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.69 -0.856 . . . . 94.03 108.69 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.96 -27.34 66.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 121.299 1.333 . . . . 86.15 111.499 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.15 -64.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.856 0.688 . . . . 110.98 112.856 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -90.43 -11.39 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.014 0.746 . . . . 88.54 113.014 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -6.26 71.3 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.34 -0.457 . . . . 84.67 112.901 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.67 167.59 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 114.47 111.942 -176.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -104.74 154.56 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.835 -0.62 . . . . 71.13 112.048 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -157.67 148.8 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.71 -0.677 . . . . 67.24 110.296 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ARG . . . . . 0.473 ' NE ' ' O ' ' C' ' 201' ' ' HOH . 15.4 mtt85 -104.74 154.46 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 75.7 110.803 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -160.64 148.17 15.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 74.35 111.294 -177.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.93 143.56 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.71 -0.677 . . . . 70.06 110.697 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' B' ' 37' ' ' LYS . 54.3 mt -106.32 160.49 26.04 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 108.908 -0.775 . . . . 75.82 108.908 176.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.93 148.98 54.28 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 O-C-N 122.692 0.838 . . . . 65.38 111.289 173.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.07 -23.72 65.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.333 0.864 . . . . 84.16 113.333 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -105.37 19.85 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.734 0.642 . . . . 92.68 112.734 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -73.09 130.38 84.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.541 -0.299 . . . . 89.82 110.34 177.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -68.63 120.97 7.87 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 123.418 2.745 . . . . 83.88 111.556 -179.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 107.49 110.87 179.695 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ' DC' . . . . . 0.671 ' O2 ' ' N2 ' ' D' ' 136' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.231 0 O4'-C1'-C2' 107.406 1.187 . . . . 91.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' ' DG' . . . . . 0.449 ' OP1' ' N ' ' A' ' 31' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.489 0 O4'-C4'-C3' 102.62 -2.98 . . . . 97.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 P-O5'-C5' 118.319 -1.613 . . . . 79.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' ' DA' . . . . . 0.446 ' N1 ' ' N3 ' ' D' ' 133' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.533 1.53 0 C4'-C3'-C2' 105.133 1.933 . . . . 85.59 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' ' DG' . . . . . 0.432 ' OP1' ' NZ ' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.421 -1.201 2 O4'-C1'-N19 111.939 5.174 . . . . 69.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.115 0 C4'-C3'-O3' 106.648 -1.66 . . . . 79.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' ' DT' . . . . . 0.409 ' N3 ' ' N1 ' ' D' ' 130' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.515 -1.264 0 O4'-C4'-C3' 103.092 -2.508 . . . . 86.51 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.377 0 O4'-C1'-N19 109.722 2.402 . . . . 101.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.318 0 C4'-C3'-O3' 108.383 -0.871 . . . . 78.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' ' DT' . . . . . 0.466 ' N3 ' ' N1 ' ' D' ' 127' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.533 1.548 0 C1'-O4'-C4' 105.515 -2.99 . . . . 74.23 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' ' DT' . . . . . 0.462 ' OP1' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 110.586 3.483 . . . . 72.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.454 -2.319 . . . . 76.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.264 0 O4'-C1'-N19 110.095 2.868 . . . . 87.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.433 ' O2 ' ' N2 ' ' D' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.52 1.135 0 O4'-C1'-C2' 108.596 2.269 . . . . 111.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' ' DT' . . . . . 0.53 ' N3 ' ' N1 ' ' D' ' 122' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.53 1.22 0 O4'-C1'-N19 109.23 1.788 . . . . 101.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.625 ' N1 ' ' N3 ' ' D' ' 121' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 P-O5'-C5' 118.334 -1.604 . . . . 90.43 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' ' DC' . . . . . 0.543 ' N3 ' ' N1 ' ' D' ' 120' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.35 0 O4'-C1'-C2' 102.983 -2.834 . . . . 90.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' ' DG' . . . . . 0.455 ' O6 ' ' N4 ' ' D' ' 119' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.521 1.29 0 O4'-C1'-C2' 104.964 -1.033 . . . . 100.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 119' ' ' ' DC' . . . . . 0.455 ' N4 ' ' O6 ' ' C' ' 118' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.153 -2.447 . . . . 89.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 120' ' ' ' DG' . . . . . 0.543 ' N1 ' ' N3 ' ' C' ' 117' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 O5'-C5'-C4' 112.245 1.461 . . . . 93.91 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 121' ' ' ' DT' . . . . . 0.625 ' N3 ' ' N1 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 110.902 3.878 . . . . 107.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 122' ' ' ' DA' . . . . . 0.53 ' N1 ' ' N3 ' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.2 0 O4'-C1'-C2' 102.861 -2.945 . . . . 109.9 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 123' ' ' ' DG' . . . . . 0.433 ' N2 ' ' O2 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 109.114 1.643 . . . . 91.81 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 C4'-C3'-C2' 104.824 1.624 . . . . 108.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.209 0 C3'-C2'-C1' 101.291 -1.006 . . . . 89.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 126' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 P-O5'-C5' 118.685 -1.384 . . . . 92.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 127' ' ' ' DA' . . . . . 0.466 ' N1 ' ' N3 ' ' C' ' 110' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.374 0 C4'-C3'-C2' 105.288 2.088 . . . . 87.28 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.375 0 C1'-O4'-C4' 105.918 -2.701 . . . . 70.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 C4'-C3'-C2' 105.24 2.04 . . . . 66.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 130' ' ' ' DA' . . . . . 0.409 ' N1 ' ' N3 ' ' C' ' 107' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.415 -1.533 0 C3'-C2'-C1' 97.403 -3.784 . . . . 83.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 O4'-C1'-C2' 103.373 -2.479 . . . . 84.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.443 0 C4'-C3'-C2' 105.167 1.967 . . . . 81.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 133' ' ' ' DT' . . . . . 0.446 ' N3 ' ' N1 ' ' C' ' 104' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 C4'-C3'-C2' 104.707 1.507 . . . . 94.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 134' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.392 0 C1'-O4'-C4' 107.451 -1.606 . . . . 79.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 C3'-C2'-C1' 99.884 -2.012 . . . . 80.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 136' ' ' ' DG' . . . . . 0.671 ' N2 ' ' O2 ' ' C' ' 101' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.413 2.017 . . . . 88.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . 0.473 ' O ' ' NE ' ' B' ' 51' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--O 1.231 0.09 0 N-CA-C 112.593 0.59 . . . . 109.52 112.593 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -77.02 133.84 68.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.901 -0.407 . . . . 111.31 109.901 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.22 149.25 90.64 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.025 1.817 . . . . 109.33 111.088 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.97 134.59 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.089 -0.708 . . . . 66.62 109.089 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.28 103.93 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.082 0.468 . . . . 86.38 110.429 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.71 153.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 65.34 111.981 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -95.39 111.58 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.216 -1.031 . . . . 90.94 108.216 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -63.49 152.43 85.6 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 82.67 111.302 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 -24.68 79.17 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 120.91 1.073 . . . . 97.59 111.079 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.05 70.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.219 0.324 . . . . 112.23 111.349 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -32.22 4.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 116.456 -0.338 . . . . 94.76 113.339 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.05 175.9 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.402 0.519 . . . . 108.21 112.402 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.89 137.36 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.925 -0.768 . . . . 107.48 108.925 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 159.5 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.674 0.99 . . . . 76.41 113.674 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -109.49 91.61 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.494 -0.928 . . . . 86.29 108.494 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.9 mt -111.13 146.64 36.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.19 0.811 . . . . 65.78 113.19 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 21.7 t -90.21 127.03 54.89 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.94 -0.763 . . . . 71.07 108.94 172.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' VAL . 3.0 Cg_endo -73.33 133.85 19.91 Favored 'Trans proline' 0 CA--C 1.519 -0.249 0 O-C-N 122.604 0.792 . . . . 80.74 111.224 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -68.78 -40.16 79.83 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.579 0.549 . . . . 94.08 111.042 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' NZ ' ' OP1' ' C' ' 105' ' ' ' DG' . 22.9 tptm -138.26 136.25 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.879 -0.415 . . . . 89.57 109.879 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.23 149.67 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.43 . . . . 73.86 111.257 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -163.83 175.39 10.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.228 0.455 . . . . 69.76 112.228 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.31 123.55 47.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.689 . . . . 79.69 111.113 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' HG ' ' C2 ' ' C' ' 102' ' ' ' DG' . 39.7 tp -103.92 83.73 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.87 109.795 177.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . . . -132.98 135.89 26.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 N-CA-C 113.053 0.761 . . . . 68.87 113.053 -176.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 16.1 Cg_exo -74.08 177.24 8.46 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.48 2.12 . . . . 82.88 110.834 172.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -70.98 126.55 29.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.055 -0.35 . . . . 109.21 110.055 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.0 -8.45 78.08 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 114.962 0.745 . . . . 90.69 114.962 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -116.44 164.72 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.04 0.42 . . . . 81.4 112.063 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -83.86 -35.0 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 117.11 111.536 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.84 -141.56 45.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.42 -0.672 . . . . 89.79 111.42 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.12 173.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 74.6 109.98 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.95 125.68 52.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.946 -1.131 . . . . 91.3 107.946 171.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.96 134.98 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.32 111.906 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.92 145.34 18.21 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.162 -0.472 . . . . 65.68 112.144 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -98.99 114.15 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.825 -0.435 . . . . 61.86 109.825 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.1 161.52 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.637 0.606 . . . . 70.18 112.637 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -128.12 116.21 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.68 -0.691 . . . . 85.12 109.409 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.19 113.4 7.85 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 79.56 109.548 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.32 -24.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 120.83 1.02 . . . . 89.0 111.797 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.5 -43.12 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.503 0.502 . . . . 90.71 111.984 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.2 p -114.34 -18.14 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.228 0.825 . . . . 77.89 113.228 -172.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.92 -1.07 89.22 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.412 -0.423 . . . . 69.69 112.133 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -77.31 139.89 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.81 0.67 . . . . 95.37 112.81 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.14 154.11 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 81.33 111.528 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.59 149.0 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 73.76 110.228 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.32 153.62 17.59 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.035 -0.357 . . . . 77.21 110.035 176.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -156.72 153.77 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.482 -0.562 . . . . 72.22 109.482 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -72.22 138.24 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.497 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.3 mt -103.05 158.67 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.446 -0.576 . . . . 75.93 109.446 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.76 150.94 50.8 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 120.756 0.971 . . . . 81.04 111.501 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.96 -8.25 42.84 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.001 0.741 . . . . 97.54 113.001 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.16 5.53 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.243 0.46 . . . . 116.58 112.243 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -72.31 133.81 83.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.679 0.622 . . . . 77.45 112.679 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.15 119.43 6.49 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.14 2.56 . . . . 101.2 112.791 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.986 0.422 . . . . 110.03 111.173 179.679 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 120.859 0.144 . . . . 98.7 113.094 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -81.21 129.85 34.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 106.65 110.506 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -66.28 135.6 94.95 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 112.96 0.726 . . . . 126.04 112.96 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . 0.558 ' HB2' ' HG3' ' B' ' 19' ' ' GLU . 63.0 Cg_endo -72.28 151.44 54.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 84.0 111.704 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 t -119.22 141.09 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.467 0.48 . . . . 69.35 110.225 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.14 115.81 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.715 0.293 . . . . 71.34 110.429 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -133.4 142.42 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.873 0.694 . . . . 66.11 112.873 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.04 113.03 16.83 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.75 -1.204 . . . . 108.03 107.75 169.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -67.49 156.78 87.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 87.71 111.675 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.74 -30.22 65.91 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.069 1.846 . . . . 107.43 111.872 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.64 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.474 0.484 . . . . 116.55 110.89 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.39 -26.63 2.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 116.376 -0.374 . . . . 98.79 113.794 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.0 165.17 23.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.394 0.516 . . . . 113.08 112.394 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -96.25 147.1 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.352 -0.61 . . . . 85.6 109.352 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.43 150.41 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.887 0.375 . . . . 72.48 111.842 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' B' ' 7' ' ' PRO . 9.0 tp10 -96.92 82.24 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.05 -0.523 . . . . 88.97 109.804 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.87 154.74 19.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 77.41 111.764 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.81 122.63 35.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 79.44 110.275 176.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -57.5 132.42 50.48 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.695 2.93 . . . . 78.49 113.772 -171.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.71 -37.39 87.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.574 0.546 . . . . 97.36 110.149 172.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' NZ ' ' OP1' ' C' ' 111' ' ' ' DT' . 3.6 tmtp? -151.64 145.77 25.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 82.27 110.136 -177.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.4 134.8 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.383 . . . . 80.85 111.179 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -155.94 162.93 40.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.46 . . . . 69.87 111.898 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 119.72 35.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.523 -0.762 . . . . 74.34 110.615 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 tp -92.73 101.78 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.845 -0.798 . . . . 69.96 108.845 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.02 127.23 5.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 113.817 1.043 . . . . 74.45 113.817 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -62.96 147.51 94.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.188 1.926 . . . . 82.66 109.065 166.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.89 146.97 51.62 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.622 0.601 . . . . 118.12 112.622 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.38 -29.62 11.23 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.025 -0.534 . . . . 105.44 112.363 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -145.33 159.97 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 99.54 111.702 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -77.27 156.89 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.119 -1.067 . . . . 119.14 108.119 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.84 -124.07 3.18 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.017 -1.233 . . . . 73.03 110.017 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.1 167.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.525 -0.546 . . . . 75.87 109.525 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.9 124.17 49.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 70.36 109.295 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mm -112.21 132.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.983 -0.553 . . . . 61.23 111.117 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.73 143.79 18.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.859 -0.609 . . . . 67.78 111.607 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.21 122.63 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.3 -0.63 . . . . 83.02 109.3 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.94 153.16 34.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.267 0.469 . . . . 67.87 112.267 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -115.07 120.04 38.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.17 -1.048 . . . . 109.09 108.17 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -68.91 113.78 18.54 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.69 -0.856 . . . . 94.03 108.69 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.96 -27.34 66.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 121.299 1.333 . . . . 86.15 111.499 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.15 -64.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.856 0.688 . . . . 110.98 112.856 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -90.43 -11.39 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.014 0.746 . . . . 88.54 113.014 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -6.26 71.3 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.34 -0.457 . . . . 84.67 112.901 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.67 167.59 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 114.47 111.942 -176.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -104.74 154.56 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.835 -0.62 . . . . 71.13 112.048 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -157.67 148.8 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.71 -0.677 . . . . 67.24 110.296 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -104.74 154.46 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 75.7 110.803 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -160.64 148.17 15.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 74.35 111.294 -177.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.93 143.56 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.71 -0.677 . . . . 70.06 110.697 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 54.3 mt -106.32 160.49 26.04 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 108.908 -0.775 . . . . 75.82 108.908 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.93 148.98 54.28 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 O-C-N 122.692 0.838 . . . . 65.38 111.289 173.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.07 -23.72 65.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.333 0.864 . . . . 84.16 113.333 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -105.37 19.85 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.734 0.642 . . . . 92.68 112.734 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' TYR . . . . . 0.424 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 47.7 t80 -73.09 130.38 84.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.541 -0.299 . . . . 89.82 110.34 177.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 58' ' ' TYR . 24.6 Cg_exo -68.63 120.97 7.87 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 123.418 2.745 . . . . 83.88 111.556 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 107.49 110.87 179.695 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ' DC' . . . . . 0.671 ' O2 ' ' N2 ' ' D' ' 136' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.231 0 O4'-C1'-C2' 107.406 1.187 . . . . 91.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 102' ' ' ' DG' . . . . . 0.42 ' C2 ' ' HG ' ' A' ' 28' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.489 0 O4'-C4'-C3' 102.62 -2.98 . . . . 97.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 P-O5'-C5' 118.319 -1.613 . . . . 79.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.53 0 C4'-C3'-C2' 105.133 1.933 . . . . 85.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' ' DG' . . . . . 0.416 ' OP1' ' NZ ' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.421 -1.201 2 O4'-C1'-N19 111.939 5.174 . . . . 69.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.115 0 C4'-C3'-O3' 106.648 -1.66 . . . . 79.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.515 -1.264 0 O4'-C4'-C3' 103.092 -2.508 . . . . 86.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.377 0 O4'-C1'-N19 109.722 2.402 . . . . 101.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.318 0 C4'-C3'-O3' 108.383 -0.871 . . . . 78.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.548 0 C1'-O4'-C4' 105.515 -2.99 . . . . 74.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' ' DT' . . . . . 0.449 ' OP1' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 110.586 3.483 . . . . 72.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.454 -2.319 . . . . 76.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.264 0 O4'-C1'-N19 110.095 2.868 . . . . 87.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' ' DC' . . . . . 0.425 " H2'" ' C6 ' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.52 1.135 0 O4'-C1'-C2' 108.596 2.269 . . . . 111.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' ' DT' . . . . . 0.425 ' C6 ' " H2'" ' C' ' 114' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.53 1.22 0 O4'-C1'-N19 109.23 1.788 . . . . 101.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 P-O5'-C5' 118.334 -1.604 . . . . 90.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.35 0 O4'-C1'-C2' 102.983 -2.834 . . . . 90.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.29 0 O4'-C1'-C2' 104.964 -1.033 . . . . 100.63 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.153 -2.447 . . . . 89.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 O5'-C5'-C4' 112.245 1.461 . . . . 93.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 110.902 3.878 . . . . 107.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.2 0 O4'-C1'-C2' 102.861 -2.945 . . . . 109.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 109.114 1.643 . . . . 91.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 C4'-C3'-C2' 104.824 1.624 . . . . 108.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 125' ' ' ' DT' . . . . . 0.436 H2'' ' C8 ' ' D' ' 126' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.209 0 C3'-C2'-C1' 101.291 -1.006 . . . . 89.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 126' ' ' ' DA' . . . . . 0.436 ' C8 ' H2'' ' D' ' 125' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 P-O5'-C5' 118.685 -1.384 . . . . 92.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.374 0 C4'-C3'-C2' 105.288 2.088 . . . . 87.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.375 0 C1'-O4'-C4' 105.918 -2.701 . . . . 70.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 129' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 C4'-C3'-C2' 105.24 2.04 . . . . 66.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.533 0 C3'-C2'-C1' 97.403 -3.784 . . . . 83.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 O4'-C1'-C2' 103.373 -2.479 . . . . 84.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.443 0 C4'-C3'-C2' 105.167 1.967 . . . . 81.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 133' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 C4'-C3'-C2' 104.707 1.507 . . . . 94.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 134' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.392 0 C1'-O4'-C4' 107.451 -1.606 . . . . 79.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 C3'-C2'-C1' 99.884 -2.012 . . . . 80.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 136' ' ' ' DG' . . . . . 0.671 ' N2 ' ' O2 ' ' C' ' 101' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.413 2.017 . . . . 88.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--O 1.231 0.09 0 N-CA-C 112.593 0.59 . . . . 109.52 112.593 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -77.02 133.84 68.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.901 -0.407 . . . . 111.31 109.901 178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.22 149.25 90.64 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.025 1.817 . . . . 109.33 111.088 176.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.97 134.59 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.089 -0.708 . . . . 66.62 109.089 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.28 103.93 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.082 0.468 . . . . 86.38 110.429 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -122.71 153.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 65.34 111.981 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -95.39 111.58 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.216 -1.031 . . . . 90.94 108.216 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -63.49 152.43 85.6 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 82.67 111.302 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 -24.68 79.17 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 120.91 1.073 . . . . 97.59 111.079 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.05 70.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.219 0.324 . . . . 112.23 111.349 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.77 -32.22 4.7 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 116.456 -0.338 . . . . 94.76 113.339 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.05 175.9 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.402 0.519 . . . . 108.21 112.402 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.89 137.36 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.925 -0.768 . . . . 107.48 108.925 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 159.5 42.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.674 0.99 . . . . 76.41 113.674 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -109.49 91.61 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.494 -0.928 . . . . 86.29 108.494 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.9 mt -111.13 146.64 36.46 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.19 0.811 . . . . 65.78 113.19 -171.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 21.7 t -90.21 127.03 54.89 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.94 -0.763 . . . . 71.07 108.94 172.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' VAL . 3.0 Cg_endo -73.33 133.85 19.91 Favored 'Trans proline' 0 CA--C 1.519 -0.249 0 O-C-N 122.604 0.792 . . . . 80.74 111.224 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -68.78 -40.16 79.83 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.579 0.549 . . . . 94.08 111.042 179.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' NZ ' ' OP1' ' C' ' 105' ' ' ' DG' . 22.9 tptm -138.26 136.25 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.879 -0.415 . . . . 89.57 109.879 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.1 m -127.23 149.67 32.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.253 -0.43 . . . . 73.86 111.257 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 33.3 p90 -163.83 175.39 10.49 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.228 0.455 . . . . 69.76 112.228 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.31 123.55 47.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.683 -0.689 . . . . 79.69 111.113 179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' HG ' ' C2 ' ' C' ' 102' ' ' ' DG' . 39.7 tp -103.92 83.73 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 65.87 109.795 177.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . . . -132.98 135.89 26.68 Favored Pre-proline 0 C--N 1.33 -0.26 0 N-CA-C 113.053 0.761 . . . . 68.87 113.053 -176.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 16.1 Cg_exo -74.08 177.24 8.46 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.48 2.12 . . . . 82.88 110.834 172.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tptt -70.98 126.55 29.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.055 -0.35 . . . . 109.21 110.055 178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.0 -8.45 78.08 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 114.962 0.745 . . . . 90.69 114.962 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -116.44 164.72 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 117.04 0.42 . . . . 81.4 112.063 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -83.86 -35.0 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 117.11 111.536 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.84 -141.56 45.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.42 -0.672 . . . . 89.79 111.42 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.12 173.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 74.6 109.98 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.95 125.68 52.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.946 -1.131 . . . . 91.3 107.946 171.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.96 134.98 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 74.32 111.906 -174.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.92 145.34 18.21 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.162 -0.472 . . . . 65.68 112.144 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 tp -98.99 114.15 26.67 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.825 -0.435 . . . . 61.86 109.825 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -113.1 161.52 17.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.637 0.606 . . . . 70.18 112.637 -175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -128.12 116.21 19.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.68 -0.691 . . . . 85.12 109.409 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.19 113.4 7.85 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 109.548 -0.538 . . . . 79.56 109.548 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.32 -24.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 120.83 1.02 . . . . 89.0 111.797 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.5 -43.12 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.503 0.502 . . . . 90.71 111.984 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.2 p -114.34 -18.14 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.228 0.825 . . . . 77.89 113.228 -172.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.92 -1.07 89.22 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.412 -0.423 . . . . 69.69 112.133 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -77.31 139.89 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.81 0.67 . . . . 95.37 112.81 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.14 154.11 25.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 81.33 111.528 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -161.59 149.0 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.76 -0.654 . . . . 73.76 110.228 173.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.32 153.62 17.59 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.035 -0.357 . . . . 77.21 110.035 176.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -156.72 153.77 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.482 -0.562 . . . . 72.22 109.482 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -72.22 138.24 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.497 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.3 mt -103.05 158.67 31.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.446 -0.576 . . . . 75.93 109.446 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.76 150.94 50.8 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 120.756 0.971 . . . . 81.04 111.501 172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.96 -8.25 42.84 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.001 0.741 . . . . 97.54 113.001 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -103.16 5.53 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.243 0.46 . . . . 116.58 112.243 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -72.31 133.81 83.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 N-CA-C 112.679 0.622 . . . . 77.45 112.679 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.15 119.43 6.49 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.14 2.56 . . . . 101.2 112.791 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.3 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.986 0.422 . . . . 110.03 111.173 179.679 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 120.859 0.144 . . . . 98.7 113.094 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -81.21 129.85 34.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.707 0.289 . . . . 106.65 110.506 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -66.28 135.6 94.95 Favored Pre-proline 0 C--N 1.331 -0.235 0 N-CA-C 112.96 0.726 . . . . 126.04 112.96 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.558 ' HB2' ' HG3' ' B' ' 19' ' ' GLU . 63.0 Cg_endo -72.28 151.44 54.47 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 84.0 111.704 179.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.7 t -119.22 141.09 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 123.467 0.48 . . . . 69.35 110.225 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.14 115.81 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.715 0.293 . . . . 71.34 110.429 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -133.4 142.42 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.873 0.694 . . . . 66.11 112.873 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.04 113.03 16.83 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.75 -1.204 . . . . 108.03 107.75 169.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -67.49 156.78 87.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 87.71 111.675 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -54.74 -30.22 65.91 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.069 1.846 . . . . 107.43 111.872 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.64 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.474 0.484 . . . . 116.55 110.89 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.39 -26.63 2.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 116.376 -0.374 . . . . 98.79 113.794 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.0 165.17 23.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.394 0.516 . . . . 113.08 112.394 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -96.25 147.1 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.352 -0.61 . . . . 85.6 109.352 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.43 150.41 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.887 0.375 . . . . 72.48 111.842 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.558 ' HG3' ' HB2' ' B' ' 7' ' ' PRO . 9.0 tp10 -96.92 82.24 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.05 -0.523 . . . . 88.97 109.804 178.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.87 154.74 19.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 77.41 111.764 -176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -112.81 122.63 35.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.51 . . . . 79.44 110.275 176.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -57.5 132.42 50.48 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.695 2.93 . . . . 78.49 113.772 -171.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.71 -37.39 87.17 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.574 0.546 . . . . 97.36 110.149 172.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.449 ' NZ ' ' OP1' ' C' ' 111' ' ' ' DT' . 3.6 tmtp? -151.64 145.77 25.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.254 -0.43 . . . . 82.27 110.136 -177.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.4 134.8 60.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.383 . . . . 80.85 111.179 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -155.94 162.93 40.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.46 . . . . 69.87 111.898 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.1 119.72 35.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.523 -0.762 . . . . 74.34 110.615 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 tp -92.73 101.78 14.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.845 -0.798 . . . . 69.96 108.845 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.02 127.23 5.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 113.817 1.043 . . . . 74.45 113.817 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -62.96 147.51 94.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.188 1.926 . . . . 82.66 109.065 166.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.89 146.97 51.62 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.622 0.601 . . . . 118.12 112.622 -175.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.38 -29.62 11.23 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.025 -0.534 . . . . 105.44 112.363 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -145.33 159.97 42.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 99.54 111.702 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -77.27 156.89 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.119 -1.067 . . . . 119.14 108.119 175.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.84 -124.07 3.18 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.017 -1.233 . . . . 73.03 110.017 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 33.0 m -112.1 167.02 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.525 -0.546 . . . . 75.87 109.525 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -105.9 124.17 49.14 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.631 . . . . 70.36 109.295 174.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 49.3 mm -112.21 132.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.983 -0.553 . . . . 61.23 111.117 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.73 143.79 18.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.859 -0.609 . . . . 67.78 111.607 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 tp -93.21 122.63 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.3 -0.63 . . . . 83.02 109.3 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -117.94 153.16 34.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.267 0.469 . . . . 67.87 112.267 -178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -115.07 120.04 38.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.17 -1.048 . . . . 109.09 108.17 172.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -68.91 113.78 18.54 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.69 -0.856 . . . . 94.03 108.69 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.96 -27.34 66.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 121.299 1.333 . . . . 86.15 111.499 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.15 -64.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.856 0.688 . . . . 110.98 112.856 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.3 p -90.43 -11.39 40.57 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.014 0.746 . . . . 88.54 113.014 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -6.26 71.3 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.34 -0.457 . . . . 84.67 112.901 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -82.67 167.59 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 114.47 111.942 -176.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -104.74 154.56 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.835 -0.62 . . . . 71.13 112.048 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -157.67 148.8 21.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.71 -0.677 . . . . 67.24 110.296 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -104.74 154.46 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 75.7 110.803 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -160.64 148.17 15.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 74.35 111.294 -177.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -59.93 143.56 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.71 -0.677 . . . . 70.06 110.697 177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 54.3 mt -106.32 160.49 26.04 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 108.908 -0.775 . . . . 75.82 108.908 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -55.93 148.98 54.28 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 O-C-N 122.692 0.838 . . . . 65.38 111.289 173.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.07 -23.72 65.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.333 0.864 . . . . 84.16 113.333 -175.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -105.37 19.85 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.734 0.642 . . . . 92.68 112.734 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' TYR . . . . . 0.424 ' HA ' ' HD3' ' B' ' 59' ' ' PRO . 47.7 t80 -73.09 130.38 84.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.541 -0.299 . . . . 89.82 110.34 177.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 58' ' ' TYR . 24.6 Cg_exo -68.63 120.97 7.87 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 123.418 2.745 . . . . 83.88 111.556 -179.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 107.49 110.87 179.695 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ' DC' . . . . . 0.671 ' O2 ' ' N2 ' ' D' ' 136' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.231 0 O4'-C1'-C2' 107.406 1.187 . . . . 91.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' ' DG' . . . . . 0.42 ' C2 ' ' HG ' ' A' ' 28' ' ' LEU . . . . . . . . 0 O5'--C5' 1.416 -1.489 0 O4'-C4'-C3' 102.62 -2.98 . . . . 97.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 P-O5'-C5' 118.319 -1.613 . . . . 79.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.53 0 C4'-C3'-C2' 105.133 1.933 . . . . 85.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' ' DG' . . . . . 0.416 ' OP1' ' NZ ' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.421 -1.201 2 O4'-C1'-N19 111.939 5.174 . . . . 69.77 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.115 0 C4'-C3'-O3' 106.648 -1.66 . . . . 79.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.515 -1.264 0 O4'-C4'-C3' 103.092 -2.508 . . . . 86.51 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.377 0 O4'-C1'-N19 109.722 2.402 . . . . 101.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.318 0 C4'-C3'-O3' 108.383 -0.871 . . . . 78.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.548 0 C1'-O4'-C4' 105.515 -2.99 . . . . 74.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' ' DT' . . . . . 0.449 ' OP1' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C1'-N19 110.586 3.483 . . . . 72.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C3'-C2'-C1' 99.454 -2.319 . . . . 76.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.264 0 O4'-C1'-N19 110.095 2.868 . . . . 87.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.425 " H2'" ' C6 ' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.52 1.135 0 O4'-C1'-C2' 108.596 2.269 . . . . 111.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' ' DT' . . . . . 0.425 ' C6 ' " H2'" ' C' ' 114' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.53 1.22 0 O4'-C1'-N19 109.23 1.788 . . . . 101.35 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 P-O5'-C5' 118.334 -1.604 . . . . 90.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.35 0 O4'-C1'-C2' 102.983 -2.834 . . . . 90.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.521 1.29 0 O4'-C1'-C2' 104.964 -1.033 . . . . 100.63 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.153 -2.447 . . . . 89.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 O5'-C5'-C4' 112.245 1.461 . . . . 93.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 110.902 3.878 . . . . 107.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 122' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.2 0 O4'-C1'-C2' 102.861 -2.945 . . . . 109.9 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 123' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 109.114 1.643 . . . . 91.81 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 C4'-C3'-C2' 104.824 1.624 . . . . 108.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 125' ' ' ' DT' . . . . . 0.436 H2'' ' C8 ' ' D' ' 126' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.209 0 C3'-C2'-C1' 101.291 -1.006 . . . . 89.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 126' ' ' ' DA' . . . . . 0.436 ' C8 ' H2'' ' D' ' 125' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.214 0 P-O5'-C5' 118.685 -1.384 . . . . 92.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 127' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.374 0 C4'-C3'-C2' 105.288 2.088 . . . . 87.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.375 0 C1'-O4'-C4' 105.918 -2.701 . . . . 70.07 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 C4'-C3'-C2' 105.24 2.04 . . . . 66.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.533 0 C3'-C2'-C1' 97.403 -3.784 . . . . 83.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.663 0 O4'-C1'-C2' 103.373 -2.479 . . . . 84.05 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.443 0 C4'-C3'-C2' 105.167 1.967 . . . . 81.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 133' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 C4'-C3'-C2' 104.707 1.507 . . . . 94.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 134' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.392 0 C1'-O4'-C4' 107.451 -1.606 . . . . 79.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.112 0 C3'-C2'-C1' 99.884 -2.012 . . . . 80.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 136' ' ' ' DG' . . . . . 0.671 ' N2 ' ' O2 ' ' C' ' 101' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-N19 109.413 2.017 . . . . 88.38 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_