data_1zq3_residue 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 1zq3 _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 CA--C 1.478 -1.817 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' P' ' 39' ' ' LEU . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . 0.662 ' CE1' ' HZ1' ' P' ' 38' ' ' LYS . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . 0.662 ' HZ1' ' CE1' ' P' ' 20' ' ' HIS . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' P' ' 13' ' ' GLN . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' THR . . . . . 0.496 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt . . . . . 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' P' ' 39' ' ' LEU . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt . . . . . 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.549 ' CD2' HD23 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . 0.424 ' CD2' HD12 ' P' ' 35' ' ' LEU . 82.9 m-70 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt . . . . . 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.51 ' CD2' HD22 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' P' ' 35' ' ' LEU . 94.5 m-70 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . 0.563 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? . . . . . 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.266 1.936 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . 0.514 ' HG3' HD13 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' P' ' 39' ' ' LEU . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . 0.408 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 43' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 44.9 p . . . . . 0 CA--C 1.579 2.069 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.281 73.2 m-70 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' P' ' 43' ' ' THR . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 43' ' ' THR . . . . . 0.458 ' HA ' HD22 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? . . . . . 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 105.269 -2.122 . . . . 0.0 105.269 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . 0.481 ' HB3' HD23 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . 0.401 ' CD2' HD12 ' P' ' 35' ' ' LEU . 88.8 m-70 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.517 HE22 ' CD2' ' P' ' 41' ' ' LEU . 71.8 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . 0.43 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.551 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . . . . . . . . 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . 0.517 ' CD2' HE22 ' P' ' 13' ' ' GLN . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . 0.478 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' P' ' 26' ' ' TYR . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.403 ' H ' ' HB2' ' P' ' 13' ' ' GLN . 71.5 p . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' H ' ' P' ' 10' ' ' THR . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . 0.483 HD23 ' H ' ' P' ' 28' ' ' THR . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.483 ' H ' HD23 ' P' ' 27' ' ' LEU . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.406 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.411 HE22 HD23 ' P' ' 41' ' ' LEU . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . 0.433 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' P' ' 17' ' ' LEU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . 0.411 HD23 HE22 ' P' ' 13' ' ' GLN . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . 0.53 HD12 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . 0.53 ' HE2' HD12 ' P' ' 48' ' ' ILE . 4.4 mtpt . . . . . 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' P' ' 39' ' ' LEU . 42.3 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.494 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.494 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . 0.453 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.473 ' HB3' ' CE3' ' P' ' 49' ' ' TRP . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . 0.401 HD13 ' HE2' ' P' ' 47' ' ' LYS . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.458 HD11 HD22 ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.401 ' HE2' HD13 ' P' ' 32' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . 0.473 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt . . . . . 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' P' ' 39' ' ' LEU . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.406 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' P' ' 13' ' ' GLN . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.44 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 43' ' ' THR . . . . . 0.525 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 73.3 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' CE2' ' P' ' 21' ' ' PHE . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . 0.442 ' CD2' HE22 ' P' ' 13' ' ' GLN . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . 0.412 ' CD2' ' CE3' ' P' ' 49' ' ' TRP . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.409 -2.476 0 CA-C-O 120.58 0.228 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . 0.458 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . 0.458 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . . . . . . . . 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? . . . . . 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.195 -1.792 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.566 ' HB3' ' CE3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' P' ' 35' ' ' LEU . 87.8 m-70 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . 0.468 HD11 ' H ' ' P' ' 47' ' ' LYS . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.506 HD11 ' CD2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.468 ' H ' HD11 ' P' ' 32' ' ' LEU . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' P' ' 26' ' ' TYR . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' P' ' 25' ' ' ARG . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.486 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.486 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.947 0.88 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.441 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 28' ' ' THR . . . . . 0.521 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . 0.521 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . 0.516 ' CD2' HD11 ' P' ' 35' ' ' LEU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt . . . . . 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.507 2.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 13' ' ' GLN . . . . . 0.481 HE22 ' CD2' ' P' ' 41' ' ' LEU . 72.6 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 27' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' P' ' 50' ' ' PHE . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 39' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . 0.481 ' CD2' HE22 ' P' ' 13' ' ' GLN . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 49' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 50' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.961 0 CA-C-O 116.14 -2.478 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -64.15 -24.64 65.88 Favored 'Trans proline' 0 N--CA 1.509 2.428 1 CA-C-N 124.247 4.024 . . . . 0.0 117.905 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' P' ' 3' ' ' ARG . 0.0 OUTLIER -164.5 70.09 0.18 Allowed 'General case' 0 CA--C 1.498 -1.024 1 C-N-CA 133.842 4.857 . . . . 0.0 113.182 -178.588 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 167.61 2.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 169.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' THR . . . . . 0.455 ' C ' ' H ' ' P' ' 7' ' ' THR . 7.7 p 42.94 49.35 5.2 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 125.243 2.449 . . . . 0.0 116.252 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -63.8 9.67 0.06 Allowed 'General case' 0 C--O 1.267 1.984 0 C-N-CA 130.557 3.543 . . . . 0.0 112.564 164.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' THR . . . . . 0.455 ' H ' ' C ' ' P' ' 5' ' ' THR . 34.4 m -162.57 155.03 19.14 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 126.115 2.865 . . . . 0.0 105.538 -175.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 109.67 -3.423 . . . . 0.0 109.799 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -65.61 164.71 13.73 Favored 'General case' 0 C--O 1.254 1.335 0 C-N-CA 129.933 3.293 . . . . 0.0 111.001 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -142.73 172.81 12.19 Favored 'General case' 0 CA--C 1.478 -1.817 1 CA-C-N 105.541 -5.299 . . . . 0.0 109.751 167.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' P' ' 39' ' ' LEU . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . 0.662 ' CE1' ' HZ1' ' P' ' 38' ' ' LYS . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . 0.662 ' HZ1' ' CE1' ' P' ' 20' ' ' HIS . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' P' ' 13' ' ' GLN . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' THR . . . . . 0.496 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -62.57 -57.87 9.59 Favored 'General case' 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -55.41 -39.79 70.65 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 115.21 -2.329 . . . . 0.0 108.687 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -64.92 -50.75 65.24 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-N 121.865 2.12 . . . . 0.0 108.684 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -53.84 -44.37 70.25 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 123.455 2.843 . . . . 0.0 114.106 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.413 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 44.2 mmm-85 -59.04 -48.83 80.16 Favored 'General case' 0 N--CA 1.528 3.429 0 O-C-N 118.448 -2.657 . . . . 0.0 107.282 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -41.28 97.01 Favored 'General case' 1 N--CA 1.559 5.023 0 C-N-CA 124.587 1.155 . . . . 0.0 110.29 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.64 -60.31 3.7 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 119.745 1.157 . . . . 0.0 112.846 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -23.62 63.46 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.99 -54.09 38.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 O-C-N 124.303 1.002 . . . . 0.0 110.052 169.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.31 -26.12 66.37 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 124.832 1.333 . . . . 0.0 112.198 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.274 4.3 p -80.98 -37.24 29.64 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 122.215 2.279 . . . . 0.0 108.084 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . 0.277 0.6 OUTLIER -64.68 -38.93 92.69 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 120.519 1.509 . . . . 0.0 111.969 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.43 -2.56 0.21 Allowed 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.85 31.18 3.95 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 128.861 2.865 . . . . 0.0 114.068 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -56.44 145.66 26.91 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 124.921 1.388 . . . . 0.0 114.517 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -123.62 -176.49 3.47 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 166.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -157.16 165.6 35.53 Favored 'General case' 0 CA--C 1.611 3.301 0 C-N-CA 125.208 1.403 . . . . 0.0 107.908 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.1 p . . . . . 0 CA--C 1.573 1.858 0 C-N-CA 127.218 2.207 . . . . 0.0 111.262 -179.14 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.584 5.581 1 O5'-C5'-C4' 117.198 4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.337 -6.412 3 C4'-C3'-C2' 98.078 -5.122 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.167 4 O4'-C1'-N19 113.143 6.679 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 1 O4'-C1'-N19 114.491 8.364 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.463 -5.545 2 O4'-C1'-N19 114.157 7.947 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.483 4.855 3 O4'-C1'-N19 101.771 -7.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.551 2.272 1 O4'-C1'-N19 113.732 7.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . 0.459 H2'' ' C6 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.56 6.073 3 P-O3'-C3' 127.916 6.847 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . 0.459 ' C6 ' H2'' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 P--O3' 1.526 -6.721 1 O4'-C1'-N19 103.789 -5.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . 0.404 ' C6 ' H2'' ' A' ' 77' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.377 -4.179 1 C5'-C4'-C3' 124.651 6.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 5.05 2 P-O3'-C3' 125.811 5.092 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.815 2 P-O3'-C3' 126.51 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.363 -4.401 2 C1'-O4'-C4' 101.548 -5.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.774 2 C5'-C4'-C3' 123.869 6.113 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.591 10.024 3 P-O3'-C3' 130.641 9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.673 8.023 0 C4'-C3'-O3' 102.463 -3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . 0.413 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 1 C3'--C2' 1.61 9.156 4 O4'-C1'-N19 115.049 9.061 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.667 7.384 5 C4'-C3'-C2' 111.749 8.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.051 2 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.584 6.595 2 O4'-C1'-N19 115.306 9.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.66 6.719 2 O4'-C1'-N19 102.981 -6.024 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.346 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--OP2 1.412 -4.317 6 O4'-C1'-N19 114.785 8.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 7.958 2 O4'-C1'-N19 116.051 10.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.175 4 O4'-C1'-C2' 95.806 -9.359 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O3'--C3' 1.328 -7.958 1 O4'-C1'-N19 101.908 -7.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.878 0 CA-C-O 115.046 -3.086 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.06 -43.46 7.28 Favored 'Trans proline' 0 CA--C 1.475 -2.44 0 O-C-N 124.964 2.034 . . . . 0.0 115.742 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -149.38 118.21 6.66 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 127.714 2.406 . . . . 0.0 106.24 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 150.0 34.28 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.768 -168.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -117.89 162.0 18.84 Favored 'General case' 0 N--CA 1.426 -1.637 0 O-C-N 126.836 2.585 . . . . 0.0 114.196 -167.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.48 133.65 15.2 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 111.871 -2.422 . . . . 0.0 110.788 162.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -26.74 121.69 0.08 Allowed 'General case' 0 N--CA 1.531 3.605 0 CA-C-N 112.209 -2.269 . . . . 0.0 117.034 156.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.9 m -99.6 111.72 24.03 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.012 -1.68 . . . . 0.0 108.718 -168.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -58.39 157.26 8.95 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p -120.98 166.55 13.68 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 168.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' P' ' 39' ' ' LEU . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' P' ' 17' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt -58.49 -59.06 5.96 Favored 'General case' 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -39.83 82.2 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 119.694 1.134 . . . . 0.0 112.757 175.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -65.89 -44.52 85.07 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 120.89 -1.132 . . . . 0.0 113.035 -174.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . 0.548 HH21 " H3'" ' B' ' 84' ' ' ' DG' 0.4 0.0 OUTLIER -67.58 -44.94 76.95 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 127.517 3.011 . . . . 0.0 110.932 177.341 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -54.92 -51.81 64.91 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 100.423 -3.917 . . . . 0.0 100.423 -172.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -65.42 -43.34 90.82 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-O 122.498 1.142 . . . . 0.0 111.318 -169.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -53.4 -53.42 51.51 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.038 1.335 . . . . 0.0 109.295 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -65.6 -46.69 78.41 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 26.1 mt -53.63 -56.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 O-C-N 125.774 1.921 . . . . 0.0 114.774 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -52.46 -34.16 47.62 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.498 -1.715 . . . . 0.0 113.114 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.305 40.0 m -70.07 -25.61 63.61 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.83 -60.56 2.13 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.113 163.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.273 14.2 pt20 -67.52 -2.77 7.07 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 -162.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -121.01 1.34 10.37 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 117.99 -2.944 . . . . 0.0 116.337 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.46 161.66 34.83 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 127.512 2.325 . . . . 0.0 112.652 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.07 151.07 38.24 Favored 'General case' 0 CA--C 1.59 2.511 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -160.04 -51.31 0.05 Allowed 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.339 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.533 3.705 0 O-C-N 120.821 -1.174 . . . . 0.0 110.346 -173.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.551 5.045 6 O4'-C1'-N19 117.706 12.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.45 -5.072 3 C3'-C2'-C1' 108.53 4.164 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.909 6 C4'-C3'-C2' 95.379 -7.821 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.531 -6.365 2 O3'-P-O5' 113.125 4.803 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.364 -7.438 3 O4'-C1'-N19 119.496 14.619 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.432 -9.609 2 O5'-C5'-C4' 122.651 8.894 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.589 6.131 3 O4'-C1'-N19 113.824 7.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.423 1 C5'-C4'-C3' 108.478 -4.148 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 7.64 3 O5'-C5'-C4' 119.198 6.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.539 -5.685 6 O4'-C1'-N19 115.944 10.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.581 8.808 2 O4'-C1'-C2' 99.482 -6.016 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.575 4.723 4 P-O3'-C3' 126.933 6.027 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.41 3 O3'-P-O5' 92.076 -6.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.567 4.882 0 O5'-C5'-C4' 115.162 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 8.056 1 O4'-C1'-N19 113.621 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . 0.548 " H3'" HH21 ' P' ' 54' ' ' ARG . . . . . . . . 3 P--O5' 1.651 5.771 2 O3'-P-O5' 91.467 -6.596 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.576 4 O4'-C1'-C2' 98.113 -7.261 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.572 3.668 3 O4'-C1'-N19 115.377 9.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.448 -7.044 0 O5'-C5'-C4' 104.945 -3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.538 -5.527 3 P-O3'-C3' 129.262 7.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.539 -5.35 6 O4'-C1'-N19 114.103 7.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.653 3 O4'-C1'-C2' 99.67 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.646 3.254 1 P-O5'-C5' 114.396 -4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.675 5.657 3 C4'-C3'-O3' 99.51 -4.904 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.348 -8.93 1 C3'-C2'-C1' 94.304 -5.997 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.575 8.028 3 O4'-C1'-N19 114.012 7.764 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.322 0 N-CA-C 108.166 -1.974 . . . . 0.0 108.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -53.81 -26.53 39.42 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 N-CA-C 118.698 2.538 . . . . 0.0 118.698 164.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.88 25.15 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 127.977 2.511 . . . . 0.0 105.712 166.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -155.95 -17.03 0.1 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.571 1.948 . . . . 0.0 116.217 -170.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.3 p -143.96 -170.91 3.44 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -23.05 0.67 Allowed 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 170.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -164.78 134.43 3.73 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.807 1.942 . . . . 0.0 109.294 -164.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 42.7 m -101.29 120.82 40.83 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.59 1.956 . . . . 0.0 106.973 165.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -72.12 177.02 4.65 Favored 'General case' 0 N--CA 1.432 -1.325 0 C-N-CA 127.354 2.261 . . . . 0.0 114.465 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p -132.5 161.14 34.52 Favored 'General case' 0 C--N 1.309 -1.174 1 O-C-N 114.52 -5.113 . . . . 0.0 111.337 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.549 ' CD2' HD23 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . 0.424 ' CD2' HD12 ' P' ' 35' ' ' LEU . 82.9 m-70 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . 0.503 ' HE3' ' N7 ' ' B' ' 85' ' ' ' DG' . 16.9 mtpt -72.2 -54.14 10.53 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -69.99 -29.1 66.11 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 117.809 -3.057 . . . . 0.0 111.86 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 44.1 ttt85 -62.23 -48.5 79.7 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 114.515 -2.659 . . . . 0.0 113.619 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 39.5 mtt85 -57.0 -56.15 25.41 Favored 'General case' 0 C--O 1.251 1.139 0 CA-C-O 116.477 -1.725 . . . . 0.0 110.756 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -47.02 -45.79 21.47 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.396 2.623 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -71.83 -41.37 68.25 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 125.543 1.537 . . . . 0.0 113.824 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.458 4.5 ptpt -63.65 -38.92 92.95 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 167.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.18 -48.37 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 C-N-CA 127.445 2.298 . . . . 0.0 110.078 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -56.82 -37.62 71.45 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 119.702 -1.874 . . . . 0.0 111.245 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -60.81 -33.36 72.88 Favored 'General case' 0 N--CA 1.538 3.949 0 O-C-N 118.529 -2.607 . . . . 0.0 115.983 170.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.26 -42.34 72.29 Favored 'General case' 0 N--CA 1.522 3.13 0 O-C-N 125.473 1.733 . . . . 0.0 114.381 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -124.87 1.97 8.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 114.247 -2.787 . . . . 0.0 118.383 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.84 -2.67 0.92 Allowed 'General case' 0 N--CA 1.516 2.839 0 O-C-N 126.331 2.269 . . . . 0.0 113.348 -160.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -135.18 165.09 26.2 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 118.401 -1.32 . . . . 0.0 108.862 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.73 109.53 5.23 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 128.161 2.585 . . . . 0.0 109.352 174.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . 0.461 ' C ' ' HG ' ' P' ' 68' ' ' SER . 1.8 pm0 -140.0 17.4 2.46 Favored 'General case' 1 C--O 1.308 4.151 0 O-C-N 128.724 3.765 . . . . 0.0 113.161 178.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 68' ' ' SER . . . . . 0.461 ' HG ' ' C ' ' P' ' 67' ' ' GLN . 11.9 m . . . . . 1 CA--C 1.636 4.274 0 CA-C-O 114.885 -2.484 . . . . 0.0 110.748 -173.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.432 -9.608 2 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.605 3 P-O3'-C3' 130.306 8.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.399 2 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.628 11.025 2 O4'-C1'-N19 116.522 10.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.529 2 C1'-O4'-C4' 103.673 -4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.19 1 O4'-C1'-N19 102.703 -6.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.55 -4.763 3 O4'-C1'-N19 114.165 7.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.351 -8.672 3 O4'-C1'-C2' 99.115 -6.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.163 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.673 8.03 1 O4'-C4'-C3' 109.886 4.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.158 0 O4'-C1'-C2' 102.0 -3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.115 6 O4'-C1'-C2' 97.926 -7.431 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.561 6.271 3 O5'-C5'-C4' 117.188 4.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 4.554 1 N19-C1'-C2' 121.145 4.341 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.745 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.253 3 C4'-C3'-C2' 98.607 -4.593 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . 0.503 ' N7 ' ' HE3' ' P' ' 51' ' ' LYS . . . . . . . . 4 P--O3' 1.503 -8.678 5 P-O5'-C5' 131.712 6.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.574 7.857 3 O4'-C1'-C2' 112.433 5.757 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.664 4.754 3 O4'-C1'-C2' 98.075 -7.295 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.899 3 C1'-O4'-C4' 101.781 -5.657 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.584 5.632 4 O4'-C4'-C3' 110.952 5.352 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.585 9.19 1 C3'-C2'-C1' 96.298 -4.573 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.623 9.459 2 O4'-C1'-C2' 113.6 6.818 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.675 5.69 3 P-O3'-C3' 126.257 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.005 3 O4'-C1'-N19 115.319 9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.014 3 O5'-C5'-C4' 118.879 6.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . 0.484 ' HA3' ' HB3' ' P' ' 4' ' ' ARG . . . . . . . . 0 CA--C 1.55 2.273 0 N-CA-C 106.776 -2.53 . . . . 0.0 106.776 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.344 48.1 Cg_exo -35.71 -43.99 0.66 Allowed 'Trans proline' 0 N--CA 1.437 -1.817 1 C-N-CA 125.411 4.074 . . . . 0.0 116.797 171.045 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.507 ' HB3' H5'' ' A' ' 75' ' ' ' DA' . 0.7 OUTLIER -120.62 -25.16 5.58 Favored 'General case' 0 C--O 1.18 -2.596 0 C-N-CA 129.954 3.301 . . . . 0.0 114.438 175.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . 0.484 ' HB3' ' HA3' ' P' ' 1' ' ' GLY . 64.8 ttp85 -67.96 -29.26 68.27 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 115.064 -2.398 . . . . 0.0 114.9 168.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -135.98 -23.21 1.35 Allowed 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 122.383 2.356 . . . . 0.0 113.508 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.299 2.0 ttp180 -128.23 22.92 6.06 Favored 'General case' 0 N--CA 1.477 0.914 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -173.519 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 27.5 m -152.77 134.93 14.91 Favored 'General case' 0 C--O 1.19 -2.062 0 C-N-CA 127.867 2.467 . . . . 0.0 112.666 166.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -125.47 120.83 32.06 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 164.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -73.88 162.93 28.58 Favored 'General case' 0 CA--C 1.482 -1.64 2 CA-C-N 127.583 4.72 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p -118.52 176.5 5.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.779 1.924 . . . . 0.0 111.748 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.51 ' CD2' HD22 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' P' ' 35' ' ' LEU . 94.5 m-70 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . 0.563 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.51 HD22 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -62.96 -57.34 11.07 Favored 'General case' 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -60.19 -31.4 70.11 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.792 1.307 . . . . 0.0 108.838 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -65.59 -52.22 53.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 117.805 -3.059 . . . . 0.0 110.298 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -54.28 -56.21 20.68 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 126.929 2.092 . . . . 0.0 106.692 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.508 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 3.5 tpt180 -62.07 -46.82 87.42 Favored 'General case' 0 C--N 1.408 3.12 0 CA-C-O 116.516 -1.707 . . . . 0.0 109.121 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -64.03 -33.82 76.61 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 119.952 1.251 . . . . 0.0 111.696 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -64.01 -52.89 57.39 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.686 0.794 . . . . 0.0 110.426 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' P' ' 55' ' ' ARG 0.33 5.9 ptpt -54.38 -49.8 69.0 Favored 'General case' 0 CA--C 1.595 2.683 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 172.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 64.2 mt -51.52 -57.87 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 C-N-CA 128.42 2.688 . . . . 0.0 111.184 172.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.43 -30.32 69.56 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 116.768 -1.973 . . . . 0.0 114.059 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.89 -37.84 82.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.407 -0.808 . . . . 0.0 111.661 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.49 -24.24 64.66 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 116.706 -1.616 . . . . 0.0 114.645 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -90.15 -32.38 16.67 Favored 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 125.535 1.534 . . . . 0.0 112.087 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -124.9 -13.01 6.98 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.583 2.753 . . . . 0.0 114.338 -166.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.293 17.6 ttmt -136.39 -17.28 1.55 Allowed 'General case' 0 N--CA 1.487 1.388 1 N-CA-C 122.548 4.277 . . . . 0.0 122.548 -178.687 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.01 -23.61 66.54 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-O 126.24 2.924 . . . . 0.0 112.263 173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . 0.439 ' NE2' ' H ' ' P' ' 68' ' ' SER 0.262 69.5 tp60 -146.77 163.48 35.85 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 117.489 -3.257 . . . . 0.0 111.213 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 68' ' ' SER . . . . . 0.439 ' H ' ' NE2' ' P' ' 67' ' ' GLN . 2.5 m . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 122.475 1.131 . . . . 0.0 111.507 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.567 7.0 3 O4'-C1'-N19 112.578 5.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.527 -6.56 4 O4'-C4'-C3' 111.818 6.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.653 1 N19-C1'-C2' 107.131 -4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.61 2 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.076 4 O4'-C1'-N19 100.505 -9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.365 -7.354 3 P-O3'-C3' 127.965 6.888 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . 0.507 H5'' ' HB3' ' P' ' 3' ' ' ARG . . . . . . . . 7 C5'--C4' 1.567 7.035 2 C5'-C4'-C3' 121.651 4.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.705 1 P-O3'-C3' 125.767 5.056 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.239 2 O5'-C5'-C4' 122.68 8.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.567 3 P-O3'-C3' 127.901 6.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.365 -5.106 1 P-O3'-C3' 127.124 6.187 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.042 5 O4'-C1'-N19 111.941 5.177 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.526 -6.718 6 O4'-C1'-N19 117.625 12.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.805 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.59 4.944 2 O4'-C1'-N19 114.291 8.114 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.799 4 O4'-C4'-C3' 100.222 -5.378 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.727 1 O4'-C1'-N19 113.827 7.534 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.546 -5.111 3 O3'-P-O5' 93.041 -5.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.767 2 O5'-C5'-C4' 118.985 6.275 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 8.193 2 O4'-C1'-N19 112.281 5.601 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.574 5.646 1 O5'-C5'-C4' 117.449 5.178 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.122 3 O4'-C1'-N19 103.523 -5.346 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.089 1 O4'-C4'-C3' 111.278 5.678 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.252 1 P-O3'-C3' 127.185 6.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.581 6.25 3 P-O3'-C3' 127.763 6.719 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.532 -6.26 4 O4'-C4'-C3' 113.071 7.471 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.296 4.021 0 CA-C-O 117.747 -1.585 . . . . 0.0 109.719 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.305 37.3 Cg_endo -59.73 -34.8 95.93 Favored 'Trans proline' 0 C--N 1.386 2.523 0 O-C-N 126.416 2.798 . . . . 0.0 118.671 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -111.39 -16.69 13.29 Favored 'General case' 0 C--O 1.197 -1.677 0 O-C-N 125.507 1.754 . . . . 0.0 113.634 -170.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' P' ' 4' ' ' ARG . 40.2 ttp85 -47.46 -18.33 0.12 Allowed 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 172.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -150.64 170.75 18.43 Favored 'General case' 0 N--CA 1.395 -3.179 0 C-N-CA 127.649 2.38 . . . . 0.0 111.424 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 62.23 -15.53 0.05 Allowed 'General case' 1 C--O 1.309 4.188 0 N-CA-C 119.742 3.238 . . . . 0.0 119.742 171.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 140.76 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 129.814 3.245 . . . . 0.0 112.133 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.01 19.45 1.61 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 57.33 174.85 0.05 OUTLIER 'General case' 0 N--CA 1.403 -2.79 1 C-N-CA 132.812 4.445 . . . . 0.0 115.876 -167.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p -140.46 161.41 37.78 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 116.496 -3.878 . . . . 0.0 111.932 164.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . 0.514 ' HG3' HD13 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.51 ' CD2' HD23 ' P' ' 39' ' ' LEU . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' P' ' 53' ' ' ARG . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . 0.433 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . 0.408 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . 0.454 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 43' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . 0.401 ' HA ' ' ND2' ' P' ' 52' ' ' ASN . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -52.24 -51.28 59.3 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' P' ' 49' ' ' TRP . 0.9 OUTLIER -67.26 -34.03 76.56 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 117.155 -3.465 . . . . 0.0 112.436 176.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' P' ' 18' ' ' GLU . 16.1 ttt85 -53.48 -47.8 69.48 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 116.424 -3.922 . . . . 0.0 111.939 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.9 mmt180 -66.49 -48.8 68.68 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 37.5 mmm-85 -56.44 -53.33 58.74 Favored 'General case' 0 CA--C 1.572 1.825 0 O-C-N 119.59 -1.944 . . . . 0.0 107.751 174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -56.85 -49.74 74.55 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.259 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.38 -49.14 70.43 Favored 'General case' 0 CA--C 1.593 2.626 0 C-N-CA 126.77 2.028 . . . . 0.0 107.496 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.509 0.2 OUTLIER -53.34 -37.45 62.35 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 118.631 -2.543 . . . . 0.0 116.649 175.058 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.0 -47.6 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-N 110.754 -2.93 . . . . 0.0 111.773 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.74 -34.1 57.87 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 118.135 2.642 . . . . 0.0 118.135 164.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -71.21 -47.77 55.41 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-O 123.982 1.849 . . . . 0.0 113.625 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.8 67.96 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 171.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -88.22 -25.14 23.04 Favored 'General case' 0 C--N 1.411 3.248 0 C-N-CA 126.799 2.039 . . . . 0.0 112.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.408 2.7 t60 55.62 23.44 6.12 Favored 'General case' 0 N--CA 1.518 2.934 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 171.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -84.98 22.31 1.43 Allowed 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 125.556 1.542 . . . . 0.0 110.496 -173.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -82.75 165.77 19.63 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -147.79 146.87 29.33 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 125.83 1.652 . . . . 0.0 108.13 168.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.276 2.472 0 C-N-CA 129.458 3.103 . . . . 0.0 112.797 162.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.484 -4.418 0 O4'-C1'-N19 104.662 -3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.712 3 O4'-C1'-C2' 100.051 -5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.372 -4.271 7 O4'-C4'-C3' 112.166 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.63 11.164 1 C4'-C3'-O3' 101.328 -4.078 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.623 9.496 5 O4'-C1'-N19 100.735 -8.831 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.525 -6.794 2 O4'-C1'-N19 100.349 -9.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.348 3 C4'-C3'-C2' 95.686 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.911 3 P-O3'-C3' 126.429 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.663 7.014 1 O4'-C1'-N19 113.329 6.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.58 6.166 1 C5'-C4'-O4' 121.865 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.098 3 O4'-C1'-N19 115.905 10.131 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 7.572 2 P-O3'-C3' 129.229 7.941 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.419 -3.89 2 C3'-C2'-C1' 95.973 -4.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.728 3 O4'-C1'-N19 112.794 6.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.586 5.785 1 O4'-C1'-C2' 112.56 5.873 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.334 -7.488 4 O5'-C5'-C4' 119.667 6.762 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.604 7.635 3 O4'-C1'-N19 116.577 10.971 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.603 7.544 2 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.207 0 C1'-O4'-C4' 114.248 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.547 -4.6 3 O5'-C5'-C4' 119.07 6.336 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.582 5.436 3 O4'-C4'-C3' 110.814 5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.59 9.892 1 O3'-P-O5' 94.628 -4.932 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.359 -4.719 4 O5'-C5'-C4' 121.533 8.095 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.712 0 O4'-C1'-N19 104.862 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.882 3 P-O3'-C3' 126.1 5.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.87 0 C1'-O4'-C4' 105.432 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.411 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.291 33.1 Cg_exo -42.56 -41.01 7.88 Favored 'Trans proline' 0 C--N 1.407 3.654 1 C-N-CA 126.456 4.771 . . . . 0.0 116.938 -177.003 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -59.8 -28.7 67.67 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 118.609 -2.557 . . . . 0.0 116.999 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -111.77 -28.83 7.93 Favored 'General case' 0 CA--C 1.582 2.185 0 C-N-CA 123.57 0.748 . . . . 0.0 110.58 -162.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.5 t -154.47 -157.54 0.77 Allowed 'General case' 0 C--O 1.257 1.475 0 C-N-CA 126.103 1.761 . . . . 0.0 114.91 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -50.97 142.74 11.41 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.199 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 60.5 m 101.1 146.68 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.167 1 C-N-CA 131.986 4.115 . . . . 0.0 110.54 -168.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 13.2 m -154.73 109.61 3.04 Favored 'General case' 0 N--CA 1.517 2.888 0 CA-C-O 114.757 -2.544 . . . . 0.0 106.426 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.43 149.85 41.48 Favored 'General case' 0 C--O 1.287 3.048 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 44.9 p -120.4 170.69 9.13 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 124.89 1.369 . . . . 0.0 110.163 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.281 73.2 m-70 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' P' ' 43' ' ' THR . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 43' ' ' THR . . . . . 0.458 ' HA ' HD22 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . 0.417 HG11 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -51.59 -50.22 60.59 Favored 'General case' 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.294 59.4 t30 -69.95 -39.16 76.2 Favored 'General case' 0 C--O 1.192 -1.971 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.462 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -60.96 -27.3 68.16 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 114.819 -2.515 . . . . 0.0 115.25 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' P' ' 54' ' ' ARG . 0.4 OUTLIER -69.78 -43.72 71.57 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 114.609 -2.615 . . . . 0.0 107.222 167.155 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.462 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 48.1 mmm-85 -64.85 -51.51 61.69 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 123.065 2.666 . . . . 0.0 111.075 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -44.18 72.85 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.227 1.376 . . . . 0.0 113.422 171.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -62.42 -50.76 70.21 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' P' ' 55' ' ' ARG . 0.4 OUTLIER -72.09 -29.38 64.05 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 119.443 -2.035 . . . . 0.0 112.125 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 34.3 mt -70.63 -47.16 66.06 Favored 'Isoleucine or valine' 0 C--O 1.276 2.471 0 C-N-CA 126.131 1.772 . . . . 0.0 106.552 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.8 -25.57 68.24 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 124.377 2.037 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -83.08 -21.36 33.74 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.176 -1.375 . . . . 0.0 109.027 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.24 -10.06 59.75 Favored 'General case' 0 C--O 1.183 -2.411 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -70.12 90.56 0.67 Allowed 'General case' 0 N--CA 1.532 3.661 0 O-C-N 124.105 0.878 . . . . 0.0 111.378 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -147.42 152.21 37.75 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 128.089 2.556 . . . . 0.0 113.984 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 tttm 64.8 -179.74 0.18 Allowed 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 130.96 3.704 . . . . 0.0 115.567 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.39 8.5 m-20 47.29 67.39 0.81 Allowed 'General case' 0 N--CA 1.517 2.907 0 CA-C-O 124.728 2.204 . . . . 0.0 113.665 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -151.51 -174.23 4.77 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 128.578 2.751 . . . . 0.0 108.284 -166.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 130.638 3.575 . . . . 0.0 112.596 -178.559 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.546 2 C4'-C3'-C2' 98.293 -4.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.289 3 O5'-C5'-C4' 119.178 6.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.449 -5.136 5 O4'-C1'-N19 112.395 5.743 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O5'--C5' 1.342 -6.123 2 O4'-C1'-N19 114.492 8.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.559 4.063 2 N19-C1'-C2' 121.717 4.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.581 5 O4'-C1'-N19 101.213 -8.234 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.671 7.755 1 C5'-C4'-O4' 119.327 6.205 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.709 2 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.196 4 O4'-C1'-N19 113.378 6.972 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.566 6.857 1 O5'-C5'-C4' 119.782 6.844 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.579 8.466 5 O4'-C1'-N19 112.994 6.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.117 2 C4'-C3'-C2' 97.774 -5.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.839 2 O4'-C1'-N19 114.504 8.38 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.775 1 N19-C1'-C2' 123.562 5.851 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.346 2 O4'-C1'-N19 113.256 6.82 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.556 5.629 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . 0.462 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 2 C5'--C4' 1.561 6.307 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.573 7.8 5 O4'-C1'-C2' 112.622 5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.324 3 C3'-C2'-C1' 93.169 -6.808 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.564 4.65 2 O3'-P-O5' 89.891 -7.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 2.763 2 O4'-C1'-N19 97.162 -13.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.682 8.864 1 P-O3'-C3' 127.169 6.225 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.379 -6.089 1 N19-C1'-C2' 123.977 6.111 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.538 -5.777 2 O4'-C1'-N19 114.265 8.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.064 2 C5'-C4'-O4' 117.09 4.806 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.549 -4.868 2 C4'-C3'-C2' 107.931 4.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.501 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.22 -22.42 19.87 Favored 'Trans proline' 0 CA--C 1.486 -1.903 1 C-N-CA 125.46 4.106 . . . . 0.0 113.993 -168.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -54.88 -17.26 3.4 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 167.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -62.1 155.71 23.48 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 124.741 1.275 . . . . 0.0 108.82 -163.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -130.07 -177.59 4.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.321 -1.752 . . . . 0.0 109.55 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -138.48 141.29 39.43 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.354 -1.466 . . . . 0.0 107.29 -173.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -158.23 121.88 3.99 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -84.0 96.69 8.94 Favored 'General case' 0 N--CA 1.482 1.165 1 C-N-CA 131.76 4.024 . . . . 0.0 112.702 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -62.23 165.5 5.8 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 118.473 2.768 . . . . 0.0 118.473 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -135.69 153.92 51.44 Favored 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 127.201 2.2 . . . . 0.0 105.269 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . 0.481 ' HB3' HD23 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . 0.401 ' CD2' HD12 ' P' ' 35' ' ' LEU . 88.8 m-70 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -65.88 -51.36 59.44 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.254 3.2 p30 -63.79 -31.25 72.37 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 119.883 -0.727 . . . . 0.0 112.352 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -64.36 -51.29 64.08 Favored 'General case' 0 N--CA 1.526 3.357 0 O-C-N 118.484 -2.635 . . . . 0.0 104.955 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -44.76 88.17 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.137 -2.852 . . . . 0.0 108.901 -173.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 mmm-85 -53.77 -55.84 22.83 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 124.114 0.884 . . . . 0.0 111.958 171.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -49.81 -44.13 49.04 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -77.42 -47.42 19.82 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.196 -2.335 . . . . 0.0 107.832 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.287 0.2 OUTLIER -63.13 -40.36 97.35 Favored 'General case' 0 N--CA 1.412 -2.33 0 O-C-N 125.743 1.902 . . . . 0.0 111.892 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.41 -44.56 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.459 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.251 68.9 mt-30 -69.58 -23.29 63.52 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 116.664 -3.772 . . . . 0.0 111.916 173.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 62.4 m -66.65 -5.35 11.4 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 115.927 -1.987 . . . . 0.0 109.027 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.12 -20.74 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 124.191 3.178 . . . . 0.0 111.042 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -123.02 -8.88 8.27 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 129.031 2.932 . . . . 0.0 111.249 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -141.44 176.86 8.53 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.038 2.352 . . . . 0.0 107.201 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -125.02 18.13 8.47 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 113.125 -1.852 . . . . 0.0 112.975 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.57 177.29 10.8 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 126.783 2.033 . . . . 0.0 112.471 175.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . 0.412 ' C ' ' HG ' ' P' ' 68' ' ' SER . 51.8 tp60 45.48 63.6 1.72 Allowed 'General case' 0 N--CA 1.409 -2.482 0 CA-C-O 123.422 1.582 . . . . 0.0 114.8 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 68' ' ' SER . . . . . 0.412 ' HG ' ' C ' ' P' ' 67' ' ' GLN . 73.8 m . . . . . 0 CA--C 1.584 2.273 0 CA-C-N 112.413 -2.176 . . . . 0.0 114.166 -167.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.377 -3.949 1 C5'-C4'-O4' 118.941 5.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.324 3 O4'-C4'-C3' 112.732 7.132 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.496 -3.17 2 O4'-C1'-C2' 99.93 -5.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.1 2 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.604 7.596 1 O5'-C5'-C4' 118.198 5.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.599 5.544 2 O4'-C1'-N19 102.912 -6.11 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.126 3 O4'-C1'-N19 113.871 7.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 4 P-O3'-C3' 126.716 5.847 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.415 1 O4'-C4'-C3' 111.372 5.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.941 3 O4'-C1'-N19 117.183 11.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.712 5 O4'-C1'-C2' 112.496 5.814 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.469 -4.862 0 O4'-C1'-N19 104.674 -3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.658 4 O4'-C1'-N19 116.865 11.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -2.876 5 C3'-C2'-C1' 113.621 7.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.429 2 P-O3'-C3' 125.09 4.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.254 2 O4'-C1'-N19 114.284 8.105 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.696 2 P-O3'-C3' 125.608 4.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 9.739 3 O4'-C1'-N19 115.901 10.127 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.753 5 O4'-C1'-N19 113.711 7.388 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.615 9.73 4 O4'-C1'-N19 114.793 8.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.553 5.207 2 O5'-C5'-C4' 121.044 7.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.937 2 O4'-C1'-N19 118.644 13.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.32 3 P-O3'-C3' 127.849 6.791 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.488 -3.962 3 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.571 7.466 3 P-O3'-C3' 129.828 8.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.468 3 O4'-C1'-N19 113.119 6.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . 0.427 ' HA3' H5'' ' B' ' 91' ' ' ' DG' . . . . . . . . 0 C--O 1.249 1.055 1 CA-C-O 113.336 -4.036 . . . . 0.0 112.866 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -85.42 0.18 8.72 Favored 'Trans proline' 0 C--O 1.261 1.661 1 C-N-CA 129.018 6.479 . . . . 0.0 119.786 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.28 -13.55 2.06 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 125.854 2.74 . . . . 0.0 113.246 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.19 157.77 7.89 Favored 'General case' 0 C--N 1.372 1.566 1 O-C-N 116.158 -4.089 . . . . 0.0 114.347 167.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.305 1.0 OUTLIER -148.02 172.46 14.21 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 126.579 1.952 . . . . 0.0 106.174 -166.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 51.06 172.06 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 127.052 3.311 . . . . 0.0 111.151 -176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.91 161.7 0.03 OUTLIER 'General case' 0 C--N 1.346 0.454 0 CA-C-N 111.36 -2.655 . . . . 0.0 116.8 170.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -142.03 114.63 8.46 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 126.643 1.977 . . . . 0.0 106.001 163.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.42 157.72 3.64 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.481 -1.387 . . . . 0.0 114.54 -170.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p -103.87 169.8 8.3 Favored 'General case' 0 N--CA 1.423 -1.816 0 C-N-CA 126.945 2.098 . . . . 0.0 114.952 167.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.517 HE22 ' CD2' ' P' ' 41' ' ' LEU . 71.8 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . 0.43 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.551 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.551 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . . . . . . . . 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.517 ' CD2' HE22 ' P' ' 13' ' ' GLN . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . 0.478 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' P' ' 26' ' ' TYR . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -63.9 -49.33 73.11 Favored 'General case' 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.317 0.1 OUTLIER -78.85 -36.99 41.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 128.449 3.593 . . . . 0.0 110.319 -178.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -54.65 31.21 Favored 'General case' 0 CA--C 1.585 2.321 0 CA-C-O 115.282 -2.294 . . . . 0.0 113.006 168.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -56.2 -47.81 77.64 Favored 'General case' 0 CA--C 1.579 2.071 0 O-C-N 128.624 3.702 . . . . 0.0 111.089 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.55 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -66.93 -54.17 24.7 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 111.704 -3.998 . . . . 0.0 105.362 -175.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ttm105 -53.41 -48.44 68.69 Favored 'General case' 0 CA--C 1.617 3.527 1 CA-C-N 127.889 4.859 . . . . 0.0 114.834 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -69.11 -32.55 72.04 Favored 'General case' 0 N--CA 1.525 3.302 0 CA-C-O 114.674 -2.584 . . . . 0.0 116.435 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 11.7 ptpt -70.09 -26.7 64.11 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 121.235 1.834 . . . . 0.0 115.218 167.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -51.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 C-N-CA 127.078 2.151 . . . . 0.0 107.212 165.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -62.41 -33.44 74.78 Favored 'General case' 0 C--N 1.391 2.393 0 C-N-CA 115.786 -2.366 . . . . 0.0 110.297 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 65.2 m -76.15 -30.73 58.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 114.976 -2.44 . . . . 0.0 111.623 -176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.68 -36.61 84.4 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 129.314 3.046 . . . . 0.0 109.881 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -75.72 6.06 5.4 Favored 'General case' 0 C--N 1.379 1.864 0 O-C-N 116.816 -3.677 . . . . 0.0 113.947 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.358 7.9 m80 54.5 -2.39 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 1 C-N-CA 132.172 4.189 . . . . 0.0 112.852 -168.801 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -87.14 -1.32 57.8 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 125.728 1.892 . . . . 0.0 112.392 -165.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.25 24.2 t0 -125.42 41.0 3.61 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.357 1.036 . . . . 0.0 109.837 164.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.35 -40.92 0.06 Allowed 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.412 3.318 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 173.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.476 -4.154 2 O4'-C1'-N19 113.254 6.817 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.484 4 O5'-C5'-C4' 122.041 8.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.473 4.113 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.355 -5.863 2 O4'-C1'-C2' 101.378 -4.293 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.553 -4.529 2 O4'-C1'-N19 115.301 9.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.584 9.17 2 O4'-C1'-N19 103.057 -5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.36 3 O4'-C1'-N19 115.935 10.169 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.954 2 P-O3'-C3' 125.263 4.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.481 3.17 4 O4'-C1'-N19 118.43 13.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.6 11.125 4 O5'-C5'-C4' 117.768 5.406 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.888 3 O4'-C1'-N19 112.842 6.303 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.356 -5.763 2 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.558 5.835 2 O4'-C1'-C2' 100.98 -4.655 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.508 5.933 1 C1'-O4'-C4' 103.046 -4.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.441 3 C1'-O4'-C4' 101.061 -6.17 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.542 -5.101 1 O5'-C5'-C4' 118.224 5.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.557 -4.194 4 O4'-C1'-N19 112.162 5.453 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.551 4.997 3 O5'-C5'-C4' 118.513 5.938 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.44 -7.775 0 C5'-C4'-O4' 103.242 -3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.558 5.869 3 P-O5'-C5' 132.527 7.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.385 -3.572 3 O4'-C1'-N19 102.722 -6.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.761 1 C4'-C3'-C2' 99.058 -4.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . 0.427 H5'' ' HA3' ' P' ' 1' ' ' GLY . . . . . . . . 1 O4'--C4' 1.397 -4.416 4 O5'-C5'-C4' 118.452 5.895 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.313 5 O4'-C1'-N19 113.279 6.849 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.311 4 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 8.227 1 C5'-C4'-C3' 105.663 -6.025 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -48.98 -29.15 14.82 Favored 'Trans proline' 0 N--CA 1.516 2.8 0 C-N-CA 122.17 1.913 . . . . 0.0 112.947 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -126.83 -18.28 4.74 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 126.988 2.115 . . . . 0.0 112.702 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' P' ' 4' ' ' ARG . 0.0 OUTLIER -93.16 157.3 16.35 Favored 'General case' 0 N--CA 1.507 2.424 1 C-N-CA 131.76 4.024 . . . . 0.0 118.163 -176.508 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -43.19 143.66 0.78 Allowed 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.192 3.397 . . . . 0.0 107.923 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -89.21 -8.55 53.34 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 -165.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 90.0 m -86.23 136.24 33.25 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.042 0.839 . . . . 0.0 111.852 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -136.27 123.26 21.46 Favored 'General case' 0 CA--C 1.549 0.933 1 C-N-CA 132.896 4.478 . . . . 0.0 112.823 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -52.11 150.19 4.64 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 128.267 2.627 . . . . 0.0 115.028 -171.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.403 ' H ' ' HB2' ' P' ' 13' ' ' GLN . 71.5 p -99.87 168.61 9.78 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 123.008 2.64 . . . . 0.0 107.769 168.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.403 ' HB2' ' H ' ' P' ' 10' ' ' THR . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . 0.483 HD23 ' H ' ' P' ' 28' ' ' THR . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.483 ' H ' HD23 ' P' ' 27' ' ' LEU . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.406 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.92 -42.06 58.47 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.342 1.0 OUTLIER -67.23 -35.78 80.28 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 117.022 -1.871 . . . . 0.0 114.806 172.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -51.51 69.24 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 128.07 2.548 . . . . 0.0 114.666 175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.336 1.0 OUTLIER -66.41 -36.32 82.54 Favored 'General case' 0 C--N 1.381 1.936 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . 0.301 47.9 mmm-85 -66.54 -48.96 68.03 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 130.662 3.585 . . . . 0.0 111.441 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm105 -71.5 -50.79 28.02 Favored 'General case' 0 N--CA 1.523 3.185 0 CA-C-O 114.225 -2.797 . . . . 0.0 108.087 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -49.92 -54.67 18.27 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 126.981 2.675 . . . . 0.0 109.487 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -72.25 -36.32 69.04 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.71 -51.82 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 CA-C-O 124.319 2.009 . . . . 0.0 112.886 170.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -59.71 -29.08 67.87 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 118.331 -2.731 . . . . 0.0 117.511 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -70.73 -40.45 72.75 Favored 'General case' 0 N--CA 1.515 2.791 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.59 -25.12 60.2 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -77.65 -5.54 50.74 Favored 'General case' 0 N--CA 1.422 -1.842 0 O-C-N 117.045 -3.534 . . . . 0.0 114.273 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -145.13 67.21 1.24 Allowed 'General case' 0 C--O 1.299 3.704 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.342 35.8 tttm -44.71 -47.11 10.67 Favored 'General case' 1 N--CA 1.542 4.166 0 O-C-N 117.695 -3.128 . . . . 0.0 115.057 169.59 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -158.46 -17.38 0.07 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 119.968 -1.707 . . . . 0.0 113.274 165.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -144.29 142.9 30.73 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.265 1.882 0 CA-C-O 112.657 -3.544 . . . . 0.0 111.656 172.189 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.33 1 O4'-C1'-N19 101.598 -7.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.065 1 O5'-C5'-C4' 119.053 6.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.76 2 O4'-C1'-N19 116.802 11.252 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.364 -7.47 5 C4'-C3'-O3' 125.512 6.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.933 4 O4'-C1'-N19 125.478 22.098 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.585 9.207 3 O5'-C5'-C4' 119.205 6.432 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.359 -7.929 2 O4'-C4'-C3' 111.333 5.733 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.376 6 O5'-C5'-C4' 120.558 7.398 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.344 -6.009 1 P-O3'-C3' 126.412 5.594 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.886 2 O4'-C4'-C3' 113.931 8.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.594 10.418 2 C5'-C4'-O4' 120.141 6.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.723 2 O5'-C5'-C4' 117.728 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.522 -7.065 3 P-O3'-C3' 126.121 5.351 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.173 2 O4'-C1'-N19 103.996 -4.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.531 -6.3 3 P-O3'-C3' 128.149 7.041 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.879 1 O5'-C5'-C4' 116.1 4.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.332 -6.779 3 C4'-C3'-C2' 97.993 -5.207 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.174 2 N19-C1'-C2' 123.896 6.06 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.979 5 O4'-C1'-N19 112.824 6.28 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.189 2 P-O3'-C3' 127.67 6.642 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.323 -7.464 0 C5'-C4'-C3' 119.999 3.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . 0.442 " H4'" ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 3 P--O5' 1.657 6.402 4 P-O3'-C3' 129.149 7.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.413 1 P-O3'-C3' 126.567 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.578 6.047 1 O4'-C1'-N19 115.375 9.469 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.336 1 P-O3'-C3' 128.339 7.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.443 3 P-O3'-C3' 125.211 4.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.648 0 CA-C-O 117.464 -1.742 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.15 -27.43 55.92 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 C-N-CA 122.98 2.454 . . . . 0.0 117.762 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.45 ' O ' H5'' ' A' ' 76' ' ' ' DT' . 2.9 mmm180 -116.39 53.98 0.86 Allowed 'General case' 0 C--O 1.258 1.546 1 CA-C-O 129.381 4.42 . . . . 0.0 113.889 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . 0.564 HH11 ' HB3' ' P' ' 4' ' ' ARG . 6.6 mmm-85 -137.71 163.27 31.73 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 110.149 -3.205 . . . . 0.0 105.365 171.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 9.3 p -69.46 -178.61 1.44 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.261 164.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.254 24.0 ttm-85 -146.07 56.61 1.19 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 128.866 2.866 . . . . 0.0 104.731 163.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 25.0 m -141.54 131.23 24.12 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-O 125.572 2.606 . . . . 0.0 107.954 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -119.97 119.85 34.64 Favored 'General case' 0 CA--C 1.577 1.992 0 CA-C-N 108.63 -3.896 . . . . 0.0 105.534 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -72.05 132.75 44.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 111.037 -2.801 . . . . 0.0 107.833 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p -91.75 159.26 15.92 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 169.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.411 HE22 HD23 ' P' ' 41' ' ' LEU . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . 0.433 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' P' ' 17' ' ' LEU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.411 HD23 HE22 ' P' ' 13' ' ' GLN . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . 0.53 HD12 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' P' ' 54' ' ' ARG . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . 0.53 ' HE2' HD12 ' P' ' 48' ' ' ILE . 4.4 mtpt -47.73 -52.03 19.95 Favored 'General case' 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.253 1.2 p30 -64.14 -34.48 78.16 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 116.416 -3.927 . . . . 0.0 111.118 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.3 -53.47 36.21 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 124.096 3.135 . . . . 0.0 107.992 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' P' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -50.68 69.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.892 1.995 . . . . 0.0 108.878 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -51.31 -63.37 1.15 Allowed 'General case' 0 CA--C 1.47 -2.097 0 C-N-CA 126.62 1.968 . . . . 0.0 108.136 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . 0.439 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 24.3 ttm105 -50.86 -38.23 48.13 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.233 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -71.3 -51.25 25.44 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 128.279 2.632 . . . . 0.0 109.843 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -68.64 -32.02 71.57 Favored 'General case' 0 N--CA 1.536 3.86 0 O-C-N 118.169 -2.832 . . . . 0.0 115.895 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.09 -50.75 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 126.199 1.8 . . . . 0.0 109.477 174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -65.75 -35.36 80.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 116.299 -1.81 . . . . 0.0 112.09 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -54.6 -35.76 63.72 Favored 'General case' 1 N--CA 1.552 4.633 0 C-N-CA 127.403 2.281 . . . . 0.0 109.997 164.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.33 -33.54 75.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 122.696 2.498 . . . . 0.0 113.055 172.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -68.48 -32.0 71.68 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 121.853 0.835 . . . . 0.0 112.515 -171.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -36.1 -14.78 0.0 OUTLIER 'General case' 0 C--N 1.359 0.999 0 N-CA-C 120.213 3.412 . . . . 0.0 120.213 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -60.33 -14.86 20.7 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 119.248 -2.158 . . . . 0.0 116.513 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -149.71 154.44 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 118.532 -2.605 . . . . 0.0 109.077 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.56 119.3 8.05 Favored 'General case' 0 C--O 1.285 2.957 1 C-N-CA 132.343 4.257 . . . . 0.0 110.407 170.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.277 2.526 0 CA-C-N 112.205 -2.27 . . . . 0.0 116.791 177.135 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.47 -5.823 3 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.479 -3.878 1 O4'-C1'-N19 98.521 -11.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.616 3 O4'-C1'-C2' 96.343 -8.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.411 2 O4'-C1'-C2' 99.7 -5.818 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.596 10.565 2 P-O3'-C3' 126.43 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . 0.439 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 C3'--C2' 1.572 5.35 3 O4'-C1'-C2' 99.282 -6.198 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . 0.418 ' C2 ' ' C2 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 1 P--O3' 1.553 -4.5 6 O4'-C1'-C2' 98.033 -7.333 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . 0.45 H5'' ' O ' ' P' ' 3' ' ' ARG . . . . . . . . 1 C3'--C2' 1.457 -6.128 2 P-O3'-C3' 127.528 6.524 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.24 4 O4'-C4'-C3' 111.905 6.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.554 5.381 2 O3'-P-O5' 93.9 -5.316 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.548 -4.548 2 C3'-C2'-C1' 94.867 -5.595 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.012 1 C5'-C4'-O4' 117.212 4.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.239 2 O4'-C4'-C3' 109.879 4.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.443 -8.47 5 O4'-C1'-C2' 115.888 8.898 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.609 9.134 0 O5'-C5'-C4' 114.065 2.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.475 -4.286 4 O5'-C5'-C4' 123.12 9.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.261 2 O4'-C1'-N19 112.631 6.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.127 3 O4'-C1'-N19 118.471 13.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.585 6.729 3 O5'-C5'-C4' 120.387 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 7.193 2 C3'-C2'-C1' 95.791 -4.935 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.559 5.982 4 P-O3'-C3' 126.371 5.559 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.198 2 C5'-C4'-O4' 119.19 6.119 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.466 -3.955 1 O5'-C5'-C4' 119.35 6.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.547 -4.568 4 C3'-C2'-C1' 94.606 -5.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.472 4 O4'-C4'-C3' 112.437 6.837 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.187 4 O4'-C4'-C3' 113.812 8.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . 0.448 ' HA3' " H3'" ' B' ' 91' ' ' ' DG' . . . . . . . . 0 CA--C 1.475 -2.469 0 CA-C-O 117.256 -1.858 . . . . 0.0 113.666 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -54.97 -42.27 70.74 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 O-C-N 126.892 3.048 . . . . 0.0 111.796 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.83 -22.49 3.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.465 2.353 . . . . 0.0 114.762 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -62.67 -15.14 50.88 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 171.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -116.75 -178.34 3.4 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 130.354 3.462 . . . . 0.0 115.455 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -132.14 -10.89 3.33 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 124.695 2.188 . . . . 0.0 115.967 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m -142.69 140.0 31.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 128.258 2.623 . . . . 0.0 113.456 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -108.39 127.72 54.13 Favored 'General case' 0 C--O 1.276 2.47 0 CA-C-O 123.023 1.392 . . . . 0.0 109.909 166.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -81.46 148.87 29.03 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 117.098 -3.502 . . . . 0.0 115.714 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p -121.51 163.43 18.85 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' P' ' 39' ' ' LEU . 42.3 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.494 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.494 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.462 ' HG ' HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . 0.453 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.435 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt -63.32 -37.16 86.18 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.397 58.4 m-80 -55.25 -44.47 75.58 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.062 -3.524 . . . . 0.0 116.442 167.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -61.35 -46.9 88.31 Favored 'General case' 0 N--CA 1.519 3.002 0 C-N-CA 126.657 1.983 . . . . 0.0 112.565 171.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -65.05 -46.63 80.46 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.11 -0.947 . . . . 0.0 109.368 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.507 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 38.6 mmm-85 -59.33 -52.95 63.45 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 128.034 3.333 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -53.91 -52.13 61.53 Favored 'General case' 0 CA--C 1.598 2.802 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -49.51 -57.51 6.92 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 125.055 1.472 . . . . 0.0 110.903 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 16.2 pttp -73.82 -25.37 60.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.589 2.07 . . . . 0.0 116.589 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 47.3 mt -69.79 -46.32 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.631 0 O-C-N 118.082 -2.886 . . . . 0.0 112.738 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.51 -41.27 93.38 Favored 'General case' 0 C--N 1.388 2.248 0 O-C-N 118.567 -2.583 . . . . 0.0 115.053 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -58.43 -28.33 65.16 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 111.599 -2.546 . . . . 0.0 111.729 170.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.27 -24.52 59.28 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 119.995 1.27 . . . . 0.0 112.725 -170.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -124.62 13.49 8.69 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -171.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -158.62 -26.54 0.08 Allowed 'General case' 0 CA--C 1.591 2.529 0 O-C-N 119.55 -1.969 . . . . 0.0 109.368 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp 57.57 172.08 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 -168.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 39.6 50.95 2.25 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-O 124.329 2.014 . . . . 0.0 116.195 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.77 -31.24 64.42 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 CA--C 1.441 -3.243 0 C-N-CA 129.118 2.967 . . . . 0.0 117.011 -173.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.445 -7.345 2 O4'-C1'-N19 113.826 7.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.545 -4.766 4 C4'-C3'-C2' 97.723 -5.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.555 5.49 3 O4'-C1'-N19 103.511 -5.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.16 2 O4'-C1'-N19 115.963 10.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.442 -8.59 4 C4'-C3'-C2' 94.107 -9.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.374 1 O3'-P-O5' 96.101 -4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 2 O5'-C5'-C4' 122.341 8.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . 0.407 ' C4 ' ' N4 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 6 O4'--C4' 1.344 -9.3 5 O4'-C1'-N19 113.429 7.036 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . 0.407 ' N4 ' ' C4 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 O4'--C1' 1.348 -5.552 1 O5'-C5'-C4' 116.419 4.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.565 4.737 3 O4'-C1'-N19 97.339 -13.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.518 7.551 4 O4'-C1'-N19 102.311 -6.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.445 -5.456 3 C5'-C4'-O4' 99.685 -6.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.653 6.013 1 O4'-C1'-N19 113.384 6.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.601 7.276 1 C4'-C3'-O3' 100.955 -4.248 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.491 4.593 2 O4'-C1'-N19 111.474 4.592 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.615 9.709 3 O4'-C4'-C3' 111.453 5.853 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.785 1 O4'-C1'-N19 114.425 8.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . 0.427 " H1'" " O4'" ' B' ' 87' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.011 1 O5'-C5'-C4' 119.554 6.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . 0.427 " O4'" " H1'" ' B' ' 86' ' ' ' DG' . . . . . . . . 2 P--O5' 1.525 -6.812 3 O4'-C1'-N19 113.851 7.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 6.677 3 O4'-C1'-N19 113.379 6.974 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.702 1 N19-C1'-C2' 122.65 5.281 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.371 3 O4'-C1'-N19 119.313 14.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . 0.448 " H3'" ' HA3' ' P' ' 1' ' ' GLY . . . . . . . . 2 O4'--C4' 1.338 -9.786 3 O5'-C5'-C4' 118.046 5.604 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.583 5.455 1 O5'-C5'-C4' 121.211 7.865 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.587 4.715 3 O4'-C1'-N19 114.947 8.934 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.627 14.5 5 C1'-O4'-C4' 101.663 -5.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 2.453 0 CA-C-O 117.192 -1.893 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -79.88 63.87 8.79 Favored 'Trans proline' 0 N--CA 1.529 3.574 0 C-N-CA 124.966 3.777 . . . . 0.0 113.021 -174.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -137.97 -31.03 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 128.904 2.882 . . . . 0.0 114.396 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 176.93 2.03 Favored 'General case' 0 N--CA 1.528 3.466 1 C-N-CA 133.339 4.656 . . . . 0.0 113.981 -171.541 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -147.07 152.17 38.09 Favored 'General case' 0 C--N 1.405 2.998 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.151 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.61 160.96 21.29 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -113.03 152.03 29.96 Favored 'General case' 0 C--O 1.186 -2.247 0 O-C-N 127.728 3.143 . . . . 0.0 108.541 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -128.48 90.56 3.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.701 1.2 . . . . 0.0 112.661 166.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -59.16 152.84 19.52 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p -104.76 170.66 7.75 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.473 ' HB3' ' CE3' ' P' ' 49' ' ' TRP . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . 0.418 ' CD ' HH12 ' P' ' 53' ' ' ARG . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . 0.401 HD13 ' HE2' ' P' ' 47' ' ' LYS . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.458 HD11 HD22 ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.401 ' HE2' HD13 ' P' ' 32' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . 0.473 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -58.88 -47.77 83.77 Favored 'General case' 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -61.95 -46.0 91.23 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 116.893 -1.527 . . . . 0.0 110.48 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . 0.418 HH12 ' CD ' ' P' ' 18' ' ' GLU . 56.3 ttt85 -52.23 -56.1 16.88 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 125.613 1.821 . . . . 0.0 112.09 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . 0.434 ' O ' ' HE2' ' P' ' 58' ' ' LYS . 1.0 OUTLIER -73.15 -33.44 65.48 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-N 120.025 1.284 . . . . 0.0 113.013 -172.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -68.07 -42.59 80.2 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.044 -2.407 . . . . 0.0 112.2 163.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -68.99 -42.46 76.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 125.027 3.558 . . . . 0.0 112.035 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.7 -45.05 86.2 Favored 'General case' 0 N--CA 1.416 -2.155 0 C-N-CA 127.348 2.259 . . . . 0.0 111.029 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' P' ' 54' ' ' ARG . 11.6 ptpt -74.61 -37.36 62.87 Favored 'General case' 1 N--CA 1.546 4.347 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -171.509 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mt -59.49 -46.48 92.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.066 0 O-C-N 125.238 1.587 . . . . 0.0 108.573 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -72.39 -33.92 67.53 Favored 'General case' 0 C--O 1.287 3.05 0 C-N-CA 128.358 2.663 . . . . 0.0 110.855 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -61.48 -39.95 92.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 130.44 3.496 . . . . 0.0 108.888 174.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.19 -1.77 11.18 Favored 'General case' 0 CA--C 1.607 3.141 0 C-N-CA 126.691 1.996 . . . . 0.0 110.706 170.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -119.89 1.27 10.96 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 122.405 2.366 . . . . 0.0 114.265 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.253 13.3 p-80 -152.07 8.76 0.49 Allowed 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 118.846 2.906 . . . . 0.0 118.846 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -145.91 4.72 0.99 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.61 32.1 0.23 Allowed 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 126.221 1.808 . . . . 0.0 112.575 -166.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -159.67 4.68 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 117.437 -3.289 . . . . 0.0 114.278 -167.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.535 3.815 0 CA-C-N 120.344 1.429 . . . . 0.0 110.158 -173.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.149 2 O5'-C5'-C4' 119.176 6.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.536 -5.667 1 O5'-C5'-C4' 120.114 7.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 7.545 2 O4'-C4'-C3' 110.602 5.002 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.547 5 O4'-C4'-C3' 114.103 8.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.374 -6.528 4 P-O3'-C3' 127.375 6.396 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.701 4 C5'-C4'-O4' 118.509 5.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.478 4.474 2 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.698 1 N19-C1'-C2' 120.845 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.945 2 P-O3'-C3' 129.58 8.233 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 7.022 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.716 1 O5'-C5'-C4' 116.974 4.839 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.435 3 C4'-C3'-C2' 91.1 -12.1 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.452 -4.964 4 O4'-C1'-N19 117.865 12.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.584 9.139 2 C1'-O4'-C4' 103.051 -4.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.597 6.899 5 C4'-C3'-C2' 95.382 -7.818 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.043 2 O4'-C1'-N19 113.911 7.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.479 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.358 -5.62 1 O4'-C1'-N19 112.851 6.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.288 2 O4'-C1'-N19 111.765 4.956 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.581 4.3 4 P-O3'-C3' 125.746 5.039 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.503 -8.974 1 P-O3'-C3' 125.179 4.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.578 8.377 4 O4'-C1'-N19 114.531 8.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 6.976 2 O4'-C1'-N19 117.544 12.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.393 -4.862 2 P-O3'-C3' 126.117 5.348 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.261 0 P-O3'-C3' 124.256 3.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.811 2 O4'-C1'-C2' 99.776 -5.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.905 0 N-CA-C 108.636 -1.785 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.5 -10.71 9.46 Favored 'Trans proline' 0 C--O 1.195 -1.629 1 C-N-CA 127.431 5.42 . . . . 0.0 113.514 169.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.284 0.0 OUTLIER -137.4 37.85 2.48 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.096 168.302 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.91 3.65 0.46 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.288 41.1 p -115.81 88.31 2.86 Favored 'General case' 0 C--O 1.182 -2.495 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -145.41 157.4 44.03 Favored 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.144 2.578 . . . . 0.0 109.768 167.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 89.4 m -55.33 154.84 5.63 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -169.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -109.6 120.1 41.44 Favored 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 125.098 1.359 . . . . 0.0 107.961 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.18 178.37 0.07 Allowed 'General case' 0 C--O 1.266 1.972 0 CA-C-O 123.534 1.635 . . . . 0.0 110.735 -171.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -116.8 161.64 18.96 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 129.718 3.207 . . . . 0.0 113.391 164.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' P' ' 39' ' ' LEU . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.406 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' P' ' 13' ' ' GLN . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . 0.436 ' NZ ' ' O4 ' ' A' ' 76' ' ' ' DT' . 0.7 OUTLIER -52.55 -58.72 5.86 Favored 'General case' 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -66.53 -45.34 79.78 Favored 'General case' 0 CA--C 1.601 2.932 0 CA-C-N 122.783 2.538 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -71.05 -38.01 72.51 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.227 -170.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.81 91.23 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 125.609 1.563 . . . . 0.0 111.963 166.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . 0.608 HH11 ' HG3' ' P' ' 55' ' ' ARG . 24.3 mmm-85 -52.22 -40.75 62.01 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 127.34 2.256 . . . . 0.0 109.11 170.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.73 -44.57 95.88 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.63 -54.06 47.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 127.843 3.214 . . . . 0.0 113.521 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.267 34.7 pttt -69.72 -24.2 63.52 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.68 -47.15 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.583 0 CA-C-O 116.07 -1.919 . . . . 0.0 113.469 168.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.82 -44.59 82.17 Favored 'General case' 0 C--O 1.285 2.921 0 CA-C-N 119.826 1.194 . . . . 0.0 108.546 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 31.4 m -62.85 -26.77 68.92 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' P' ' 64' ' ' HIS . 38.6 t70 -74.52 -39.82 62.13 Favored 'General case' 0 CA--C 1.59 2.489 0 CA-C-O 118.345 -0.836 . . . . 0.0 113.228 167.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.43 13.74 0.06 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' P' ' 62' ' ' ASP 0.293 7.5 m-70 60.16 22.6 11.9 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 175.125 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -70.43 -13.5 62.16 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 117.637 -3.164 . . . . 0.0 116.71 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -118.86 -0.74 11.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.757 1.286 . . . . 0.0 114.198 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.0 -45.97 89.34 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.185 -2.332 0 C-N-CA 128.165 2.586 . . . . 0.0 113.943 -171.379 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.949 0 O5'-C5'-C4' 114.567 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.795 2 O4'-C1'-C2' 97.955 -7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.581 8.768 1 O5'-C5'-C4' 117.8 5.429 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.385 -5.53 2 O4'-C1'-N19 111.992 5.239 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.354 3 O4'-C4'-C3' 113.58 7.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.51 6.078 3 O4'-C1'-N19 101.99 -7.263 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.587 9.552 4 P-O3'-C3' 127.028 6.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . 0.436 ' O4 ' ' NZ ' ' P' ' 51' ' ' LYS . . . . . . . . 2 C5'--C4' 1.56 6.065 2 O4'-C1'-N19 112.597 5.997 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.519 -7.396 4 O4'-C1'-C2' 97.45 -7.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.563 4.536 1 O5'-C5'-C4' 119.138 6.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.324 1 C5'-C4'-O4' 116.288 4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.679 8.636 1 N19-C1'-C2' 121.129 4.331 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.48 -4.785 1 O4'-C1'-N19 116.849 11.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.221 3 C1'-O4'-C4' 116.39 4.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.462 -5.593 4 OP1-P-OP2 111.419 -5.454 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . 0.421 H2'' ' C8 ' ' B' ' 85' ' ' ' DG' . . . . . . . . 4 C5'--C4' 1.573 7.777 3 O3'-P-O5' 91.408 -6.627 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . 0.421 ' C8 ' H2'' ' B' ' 84' ' ' ' DG' . . . . . . . . 2 C3'--C2' 1.591 7.311 3 P-O3'-C3' 128.606 7.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.662 6.917 1 O5'-C5'-C4' 118.627 6.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.789 2 O5'-C5'-C4' 118.417 5.869 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.385 -5.542 6 O4'-C1'-N19 115.496 9.62 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.656 6.273 3 O5'-C5'-C4' 117.85 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 9.381 2 O4'-C1'-N19 118.512 13.391 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.457 -6.129 4 C4'-C3'-C2' 96.757 -6.443 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.68 6.096 2 O5'-C5'-C4' 118.58 5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.61 12.429 4 O4'-C1'-N19 118.783 13.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.468 2 O4'-C1'-N19 114.106 7.883 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.064 1 CA-C-O 112.604 -4.442 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.23 -26.31 0.85 Allowed 'Trans proline' 0 CA--C 1.482 -2.106 1 CA-C-N 125.169 4.485 . . . . 0.0 111.235 -172.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.61 70.1 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.372 1.896 . . . . 0.0 115.02 -174.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.59 3.74 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 122.246 2.294 . . . . 0.0 114.724 177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.317 0.6 OUTLIER -59.92 -25.09 64.87 Favored 'General case' 0 N--CA 1.532 3.628 0 C-N-CA 126.801 2.04 . . . . 0.0 115.126 -162.574 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.6 -71.77 0.0 OUTLIER 'General case' 0 C--O 1.275 2.402 0 C-N-CA 127.724 2.409 . . . . 0.0 115.074 -167.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m 28.17 111.0 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -81.44 109.86 16.31 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 127.417 2.287 . . . . 0.0 110.715 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -74.33 136.01 42.54 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p -111.45 162.4 15.12 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.44 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 43' ' ' THR . . . . . 0.525 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -64.97 -47.63 76.91 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -31.37 69.23 Favored 'General case' 0 N--CA 1.412 -2.366 0 CA-C-O 114.664 -2.589 . . . . 0.0 115.266 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -56.08 -54.0 50.27 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -56.84 16.61 Favored 'General case' 0 N--CA 1.527 3.421 0 O-C-N 121.158 -0.964 . . . . 0.0 111.201 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -50.81 -52.56 40.01 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.916 2.086 . . . . 0.0 111.63 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -60.37 -44.56 95.5 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 119.093 2.997 . . . . 0.0 119.093 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.92 -49.39 77.66 Favored 'General case' 0 C--O 1.202 -1.416 0 O-C-N 127.317 2.886 . . . . 0.0 109.284 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.318 7.8 ptpt -58.66 -39.91 81.98 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 117.941 -2.974 . . . . 0.0 113.602 171.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -74.6 -47.14 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 CA-C-O 123.44 1.591 . . . . 0.0 114.415 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.265 60.8 mm-40 -64.69 -38.74 92.02 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 123.897 1.808 . . . . 0.0 112.652 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 26.7 m -60.56 -12.69 10.68 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.08 -3.513 . . . . 0.0 109.284 168.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -109.67 1.38 19.49 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.796 1.634 . . . . 0.0 110.197 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.319 4.3 pt20 -146.68 -10.06 0.47 Allowed 'General case' 0 C--O 1.253 1.254 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -173.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -68.98 156.48 38.52 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 126.389 2.995 . . . . 0.0 111.59 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -131.11 163.52 27.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 116.901 -3.625 . . . . 0.0 110.67 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 44.19 38.28 2.3 Favored 'General case' 0 N--CA 1.53 3.529 0 C-N-CA 128.992 2.917 . . . . 0.0 114.989 172.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -55.18 130.37 41.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 120.769 1.622 . . . . 0.0 112.836 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.275 2.439 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 166.035 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.46 -5.802 0 O4'-C1'-N19 110.498 3.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.572 5.36 2 O4'-C1'-N19 101.791 -7.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.472 -4.606 1 O4'-C1'-N19 114.891 8.863 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.96 0 O4'-C1'-N19 109.886 2.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.944 2 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.35 0 O5'-C5'-C4' 115.05 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.401 2 C3'-C2'-C1' 108.435 4.096 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.573 5.48 2 O5'-C5'-C4' 120.533 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.622 9.396 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.62 0 N19-C1'-C2' 120.459 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.662 4.584 2 P-O3'-C3' 125.874 5.145 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.6 4 P-O3'-C3' 127.613 6.594 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.559 -3.377 1 O4'-C1'-C2' 100.561 -5.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.379 2 N19-C1'-C2' 120.991 4.245 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.592 10.116 5 C4'-C3'-C2' 96.953 -6.247 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.789 6 O4'-C1'-N19 113.171 6.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.597 10.773 3 O4'-C1'-N19 119.214 14.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.468 -4.967 1 O4'-C1'-C2' 111.546 4.951 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.173 2 P-O3'-C3' 129.909 8.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.478 2 C5'-C4'-O4' 120.294 6.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.596 6.814 2 C4'-C3'-C2' 97.444 -5.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.866 0 O5'-C5'-C4' 115.723 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.369 -7.023 2 C3'-C2'-C1' 94.372 -5.949 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.576 8.066 3 O4'-C1'-N19 113.779 7.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 94' ' ' ' DC' . . . . . . . . 3 O4'--C4' 1.385 -5.509 5 O5'-C5'-C4' 120.781 7.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.572 5.394 2 O4'-C4'-C3' 110.261 4.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.476 -2.365 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.266 13.1 Cg_endo -61.32 -9.77 13.86 Favored 'Trans proline' 0 N--CA 1.489 1.243 1 C-N-CA 125.901 4.401 . . . . 0.0 114.168 -172.75 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -62.82 -21.88 66.23 Favored 'General case' 0 N--CA 1.526 3.349 0 O-C-N 118.097 -2.877 . . . . 0.0 116.566 162.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 170.28 0.22 Allowed 'General case' 0 CA--C 1.604 3.049 0 C-N-CA 125.6 1.56 . . . . 0.0 114.386 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -162.8 168.64 21.12 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.731 2.813 . . . . 0.0 113.277 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -140.11 -171.43 3.18 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 126.793 2.558 . . . . 0.0 114.095 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -146.8 130.92 17.34 Favored 'General case' 0 C--O 1.266 1.938 0 C-N-CA 129.998 3.319 . . . . 0.0 111.943 -164.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -83.3 117.87 23.28 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 124.846 1.341 . . . . 0.0 112.359 165.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.44 156.41 18.68 Favored 'General case' 0 C--O 1.285 2.972 0 O-C-N 117.112 -3.492 . . . . 0.0 115.616 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -134.1 167.42 20.69 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 73.3 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' CE2' ' P' ' 21' ' ' PHE . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.442 ' CD2' HE22 ' P' ' 13' ' ' GLN . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.412 ' CD2' ' CE3' ' P' ' 49' ' ' TRP . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -62.76 -55.44 26.56 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.78 -32.96 74.59 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 114.094 -3.042 . . . . 0.0 110.763 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -50.41 -52.9 33.51 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 118.144 -2.848 . . . . 0.0 111.933 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -68.34 -47.65 66.94 Favored 'General case' 0 C--O 1.197 -1.668 0 O-C-N 126.718 2.511 . . . . 0.0 115.426 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -54.32 -52.25 62.13 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.093 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 ttp-105 -47.16 -57.64 4.91 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 131.454 3.902 . . . . 0.0 113.295 166.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -55.47 -55.31 33.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.758 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.261 1.686 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.3 mt -57.57 -43.67 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 124.02 1.867 . . . . 0.0 112.06 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.67 -35.23 72.24 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-N 112.571 -2.104 . . . . 0.0 114.21 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 33.8 m -70.99 -20.84 62.38 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 125.106 1.504 . . . . 0.0 113.45 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 20.61 3.79 Favored 'General case' 0 CA--C 1.597 2.763 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -127.58 172.72 10.49 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 127.867 2.467 . . . . 0.0 109.267 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.44 157.41 11.28 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 128.101 2.56 . . . . 0.0 109.334 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -137.45 52.69 1.89 Allowed 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 126.153 1.781 . . . . 0.0 110.201 -171.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -138.11 2.78 2.36 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 127.03 2.132 . . . . 0.0 112.207 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -130.67 -6.9 4.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 116.523 -3.861 . . . . 0.0 114.546 -166.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 130.461 3.504 . . . . 0.0 109.73 -179.164 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.145 3 O4'-C4'-C3' 111.321 5.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . 0.45 ' H42' ' H1 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 2 C3'--C2' 1.568 4.984 5 P-O3'-C3' 128.713 7.511 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.591 6.264 2 C4'-C3'-C2' 97.288 -5.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.554 5.435 4 O4'-C4'-C3' 111.14 5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.66 6.691 3 C4'-C3'-C2' 97.986 -5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.536 -5.702 2 O3'-P-O5' 95.517 -4.465 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.368 -7.086 3 O5'-C5'-C4' 117.831 5.45 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.376 4 O4'-C1'-N19 116.894 11.368 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.448 -6.961 2 O5'-C5'-C4' 118.026 5.59 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 3 C5'-C4'-O4' 117.708 5.193 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.433 3 O4'-C1'-N19 115.289 9.361 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.465 -5.27 3 O4'-C4'-C3' 111.275 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.574 7.922 2 O5'-C5'-C4' 118.56 5.971 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.603 11.527 2 C5'-C4'-O4' 118.192 5.495 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.584 9.083 4 C5'-C4'-O4' 118.574 5.734 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.07 0 O4'-C1'-N19 104.658 -3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.536 -5.885 0 C5'-C4'-C3' 109.15 -3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.181 2 N19-C1'-C2' 122.406 5.129 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.593 2 O4'-C1'-N19 114.149 7.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.533 3 O3'-P-O5' 93.045 -5.766 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.143 3 O4'-C4'-C3' 112.34 6.74 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.594 7.558 6 C4'-C3'-C2' 96.538 -6.662 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.314 -7.854 4 O5'-C5'-C4' 120.551 7.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.608 8.039 3 C4'-C3'-O3' 97.465 -5.834 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . 0.45 ' H1 ' ' H42' ' A' ' 70' ' ' ' DC' . . . . . . . . 6 O4'--C4' 1.343 -9.404 3 O4'-C1'-N19 113.997 7.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.577 5.86 2 P-O3'-C3' 126.943 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . 0.421 ' HA2' ' N3 ' ' B' ' 90' ' ' ' DA' . . . . . . . . 1 CA--C 1.608 5.901 1 CA-C-O 108.795 -6.558 . . . . 0.0 111.107 . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.25 72.3 Cg_exo -38.51 -60.72 0.44 Allowed 'Trans proline' 0 C--O 1.178 -2.512 2 N-CA-C 125.018 4.969 . . . . 0.0 125.018 -165.901 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -57.15 -26.01 59.84 Favored 'General case' 0 CA--C 1.473 -2.009 0 O-C-N 119.827 -1.796 . . . . 0.0 113.51 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -42.09 8.41 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -169.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -44.66 164.0 0.02 OUTLIER 'General case' 0 C--O 1.189 -2.093 0 O-C-N 118.681 -2.512 . . . . 0.0 113.91 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -70.33 -15.23 62.85 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' THR . . . . . 0.429 HG22 ' CD2' ' P' ' 41' ' ' LEU . 0.3 OUTLIER -156.71 132.29 9.41 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 124.947 1.299 . . . . 0.0 112.479 178.262 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -86.6 124.25 32.68 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.817 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -59.15 161.19 5.49 Favored 'General case' 0 N--CA 1.516 2.827 0 CA-C-O 123.119 1.437 . . . . 0.0 114.308 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p -120.06 166.2 13.7 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 128.902 2.881 . . . . 0.0 111.304 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . 0.458 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . 0.458 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . . . . . . . . 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.429 ' CD2' HG22 ' P' ' 7' ' ' THR . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -49.54 -51.22 38.14 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.86 -49.33 73.19 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 129.551 3.14 . . . . 0.0 113.284 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -52.22 37.6 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.832 2.105 . . . . 0.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -46.52 88.16 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 119.898 -1.751 . . . . 0.0 109.603 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.87 -51.81 27.72 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 123.227 1.489 . . . . 0.0 112.587 172.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ttm105 -62.89 -38.91 92.77 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.387 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -63.79 -63.02 1.28 Allowed 'General case' 0 N--CA 1.399 -2.996 0 CA-C-O 122.216 1.008 . . . . 0.0 111.243 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.504 ' HZ2' ' P ' ' B' ' 86' ' ' ' DG' . 49.8 pttt -53.69 -33.34 55.07 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 118.358 -2.714 . . . . 0.0 109.473 -174.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.53 -45.18 82.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 O-C-N 117.916 -2.99 . . . . 0.0 110.331 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.08 -38.57 89.32 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 126.217 2.198 . . . . 0.0 114.06 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -60.99 -33.91 73.96 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.847 -2.408 . . . . 0.0 110.401 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' P' ' 64' ' ' HIS . 17.4 t70 -73.02 -45.2 59.14 Favored 'General case' 0 C--O 1.188 -2.138 0 CA-C-N 122.508 2.413 . . . . 0.0 110.22 177.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.9 4.6 1.11 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 169.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . 0.401 ' H ' ' C ' ' P' ' 62' ' ' ASP 0.328 1.8 m-70 54.28 50.05 17.21 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 127.288 2.235 . . . . 0.0 112.65 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.7 165.96 12.25 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 127.973 2.509 . . . . 0.0 109.462 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.6 172.66 6.98 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 123.171 1.462 . . . . 0.0 114.038 171.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . 0.501 ' C ' ' HG ' ' P' ' 68' ' ' SER . 4.0 pt20 -140.64 -7.43 1.12 Allowed 'General case' 0 CA--C 1.561 1.394 0 O-C-N 118.651 -2.53 . . . . 0.0 113.012 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 68' ' ' SER . . . . . 0.501 ' HG ' ' C ' ' P' ' 67' ' ' GLN . 4.0 m . . . . . 0 C--O 1.254 1.335 0 CA-C-N 124.515 3.325 . . . . 0.0 111.737 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.378 -3.871 2 O4'-C1'-N19 104.305 -4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . 0.432 ' C5 ' ' H72' ' A' ' 71' ' ' ' DT' . . . . . . . . 2 P--O5' 1.549 -4.41 3 O4'-C1'-C2' 114.844 7.949 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . 0.432 ' H72' ' C5 ' ' A' ' 70' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.557 5.729 2 O4'-C1'-N19 118.357 13.197 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.593 7.524 2 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.495 -9.755 2 O4'-C1'-N19 117.385 11.981 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.689 0 O5'-C5'-C4' 115.72 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 3 O4'-C1'-N19 100.863 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.757 3 O4'-C1'-N19 112.588 5.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.31 5 C3'-C2'-C1' 94.237 -6.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.598 7.961 3 O4'-C1'-C2' 115.49 8.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.643 4.975 4 P-O3'-C3' 126.344 5.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.467 -5.112 6 O4'-C4'-C3' 113.752 8.152 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -7.005 2 O5'-C5'-C4' 118.257 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 10.153 3 O4'-C1'-N19 102.359 -6.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.605 7.688 4 C4'-C3'-C2' 95.973 -7.227 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.599 10.941 3 O4'-C1'-N19 113.989 7.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.167 0 C1'-O4'-C4' 105.345 -3.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . 0.504 ' P ' ' HZ2' ' P' ' 58' ' ' LYS . . . . . . . . 0 O4'--C4' 1.477 2.853 2 O4'-C1'-N19 116.224 10.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.596 10.68 1 O4'-C4'-C3' 110.018 4.418 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.141 2 O4'-C4'-C3' 112.066 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.967 2 O4'-C1'-N19 113.422 7.028 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . 0.421 ' N3 ' ' HA2' ' P' ' 1' ' ' GLY . . . . . . . . 1 C3'--C2' 1.466 -5.167 1 P-O3'-C3' 125.527 4.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.089 3 C5'-C4'-C3' 122.47 5.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.345 -5.929 3 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.494 5.665 1 O4'-C1'-C2' 97.961 -7.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.515 -7.835 2 P-O3'-C3' 126.063 5.302 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . 0.451 ' H3 ' ' HB ' ' P' ' 5' ' ' THR . . . . . . . . 0 CA--C 1.548 2.138 0 CA-C-O 118.387 -1.229 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -73.57 -14.08 24.82 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.134 1.89 . . . . 0.0 114.838 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.413 0.0 OUTLIER -109.87 -5.89 15.39 Favored 'General case' 0 C--N 1.366 1.297 0 N-CA-C 119.155 3.02 . . . . 0.0 119.155 163.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 146.65 9.43 Favored 'General case' 0 N--CA 1.534 3.746 0 CA-C-N 120.176 1.353 . . . . 0.0 109.848 168.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' THR . . . . . 0.451 ' HB ' ' H3 ' ' P' ' 1' ' ' GLY . 9.0 t -170.49 -155.07 0.11 Allowed 'General case' 0 C--O 1.265 1.917 0 O-C-N 125.208 1.568 . . . . 0.0 110.995 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.68 165.03 17.93 Favored 'General case' 0 C--N 1.364 1.219 1 O-C-N 116.007 -4.183 . . . . 0.0 116.065 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 55.0 m -123.94 150.04 45.22 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 126.301 2.953 . . . . 0.0 105.745 163.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -124.86 86.59 2.58 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 116.49 -3.881 . . . . 0.0 108.101 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -71.86 161.9 30.26 Favored 'General case' 0 N--CA 1.402 -2.871 0 CA-C-N 112.322 -2.217 . . . . 0.0 113.975 -167.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p -100.26 155.48 17.75 Favored 'General case' 0 C--N 1.395 2.544 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.491 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.566 ' HB3' ' CE3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' P' ' 35' ' ' LEU . 87.8 m-70 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . 0.468 HD11 ' H ' ' P' ' 47' ' ' LYS . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.506 HD11 ' CD2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.468 ' H ' HD11 ' P' ' 32' ' ' LEU . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -53.5 57.55 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.266 10.9 p30 -66.63 -43.37 84.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 121.516 1.962 . . . . 0.0 111.24 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.7 -54.82 37.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 117.268 -1.349 . . . . 0.0 109.208 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.31 90.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 121.696 2.043 . . . . 0.0 109.057 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -62.73 -50.99 68.93 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-O 126.486 3.041 . . . . 0.0 115.125 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -57.57 -46.56 83.81 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 112.887 -1.96 . . . . 0.0 114.124 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -65.05 -45.69 84.32 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -62.02 -47.25 85.59 Favored 'General case' 0 C--O 1.191 -1.985 0 C-N-CA 124.455 1.102 . . . . 0.0 111.079 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mt -57.68 -59.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 117.548 -3.22 . . . . 0.0 114.565 173.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -46.07 -49.68 16.09 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 130.251 3.42 . . . . 0.0 113.684 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -69.6 -5.45 24.61 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 174.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -96.64 -1.76 46.12 Favored 'General case' 0 C--O 1.251 1.165 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 166.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -118.88 -37.65 3.21 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -79.18 -4.88 52.63 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 128.378 3.942 . . . . 0.0 120.392 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm 71.52 -175.14 0.18 Allowed 'General case' 0 N--CA 1.48 1.075 0 O-C-N 117.231 -3.418 . . . . 0.0 114.635 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.332 1.2 m-20 40.91 17.27 0.0 OUTLIER 'General case' 0 C--O 1.266 1.93 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 -176.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -97.79 -10.07 25.45 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.197 0.999 . . . . 0.0 113.278 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 51.0 p . . . . . 0 C--O 1.259 1.58 0 O-C-N 124.741 1.275 . . . . 0.0 113.668 -177.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.432 -8.649 3 O4'-C4'-C3' 99.889 -5.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.368 -7.129 2 O4'-C1'-N19 115.943 10.178 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.078 1 O4'-C4'-C3' 112.181 6.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 6 P--O3' 1.51 -8.043 4 C4'-C3'-C2' 96.371 -6.829 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.035 3 P-O3'-C3' 127.96 6.884 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.606 6.062 1 O4'-C1'-N19 112.784 6.23 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.591 6.26 1 O4'-C1'-N19 104.383 -4.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.797 5 O4'-C1'-N19 116.311 10.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -4.96 3 O4'-C4'-C3' 111.938 6.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.661 4.513 1 P-O3'-C3' 126.004 5.253 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.442 -5.644 2 O4'-C1'-N19 113.49 7.112 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.646 16.905 3 O4'-C1'-N19 101.971 -7.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.467 3 O4'-C1'-N19 122.179 17.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.995 1 O4'-C1'-N19 115.011 9.014 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.669 7.632 1 O4'-C1'-N19 112.768 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.495 4.496 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.655 6.248 2 O4'-C1'-N19 112.969 6.462 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.469 -5.204 2 O5'-C5'-C4' 118.708 6.077 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.73 1 O4'-C1'-C2' 99.988 -5.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.372 -4.249 3 P-O3'-C3' 126.56 5.717 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.552 5.143 2 O4'-C1'-N19 115.438 9.547 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.526 -6.751 2 O4'-C1'-N19 111.773 4.966 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.615 9.738 2 O4'-C4'-C3' 112.842 7.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.16 3 O5'-C5'-C4' 117.88 5.485 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . 0.466 ' C5 ' ' C4 ' ' B' ' 94' ' ' ' DC' . . . . . . . . 4 C5'--C4' 1.564 6.648 3 O4'-C4'-C3' 112.631 7.031 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . 0.466 ' C4 ' ' C5 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.36 -5.449 3 O5'-C5'-C4' 124.209 10.006 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.554 0 CA-C-O 115.893 -2.615 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.261 35.7 Cg_exo -47.1 -46.97 17.92 Favored 'Trans proline' 0 C--O 1.169 -2.949 2 C-N-CA 126.737 4.958 . . . . 0.0 117.991 172.632 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -157.05 108.6 2.38 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 130.37 3.468 . . . . 0.0 112.501 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.21 156.99 44.88 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.071 -1.643 . . . . 0.0 110.671 178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 52.6 p -84.29 142.91 29.88 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 129.31 3.044 . . . . 0.0 118.016 -169.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -139.82 71.18 1.37 Allowed 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.923 1.689 . . . . 0.0 107.784 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 29.8 m -39.83 108.28 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 1 C-N-CA 133.023 4.529 . . . . 0.0 105.671 -178.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 98.5 m -106.51 103.65 13.15 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 109.659 -3.428 . . . . 0.0 106.218 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -51.78 150.43 4.04 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-N 113.261 -1.79 . . . . 0.0 112.681 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p -83.43 169.42 15.56 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 124.378 1.071 . . . . 0.0 108.981 165.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . 0.418 ' HB2' HD13 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' P' ' 26' ' ' TYR . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' P' ' 25' ' ' ARG . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.486 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.486 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -52.71 56.87 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.345 3.2 p30 -57.7 -36.27 71.74 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.83 1.331 . . . . 0.0 113.182 175.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -55.97 -48.06 76.51 Favored 'General case' 1 C--O 1.314 4.475 0 C-N-CA 126.998 2.119 . . . . 0.0 108.212 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -55.77 -48.76 74.74 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-O 125.377 2.513 . . . . 0.0 109.974 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -70.86 -50.22 37.55 Favored 'General case' 0 C--N 1.396 2.597 0 O-C-N 117.944 -2.973 . . . . 0.0 112.255 -173.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . 0.4 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 26.1 ttm105 -49.56 -48.43 48.52 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 171.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -58.95 -48.45 81.47 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 118.014 -1.475 . . . . 0.0 112.504 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' P' ' 58' ' ' LYS . 9.3 ptpt -69.06 -40.08 78.74 Favored 'General case' 0 C--N 1.398 2.693 0 O-C-N 117.406 -3.308 . . . . 0.0 110.888 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 14.0 mt -59.93 -45.27 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 124.721 1.208 . . . . 0.0 108.402 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.64 -32.85 74.65 Favored 'General case' 0 CA--C 1.483 -1.606 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 170.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -62.48 -15.57 50.71 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.863 1.665 . . . . 0.0 109.328 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -93.13 -7.12 46.34 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.68 -3.138 . . . . 0.0 113.704 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -146.81 -47.66 0.18 Allowed 'General case' 0 C--N 1.369 1.424 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -172.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.258 24.6 t-80 -177.07 147.99 0.6 Allowed 'General case' 0 N--CA 1.522 3.148 0 C-N-CA 130.864 3.666 . . . . 0.0 107.127 168.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -110.47 128.78 55.77 Favored 'General case' 0 C--O 1.285 2.965 0 C-N-CA 118.481 -1.288 . . . . 0.0 114.434 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -62.72 -12.89 26.74 Favored 'General case' 0 C--O 1.2 -1.52 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -92.47 -53.53 4.17 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 126.039 2.087 . . . . 0.0 108.206 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.51 2.572 0 C-N-CA 130.562 3.545 . . . . 0.0 112.324 179.45 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.594 10.368 2 O5'-C5'-C4' 117.382 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.606 7.763 3 P-O3'-C3' 128.348 7.206 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.229 2 P-O3'-C3' 127.347 6.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 8.108 1 C1'-O4'-C4' 101.815 -5.632 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.503 -9.049 4 O4'-C1'-N19 111.93 5.163 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . 0.4 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 P--O5' 1.668 7.548 2 O5'-C5'-C4' 118.111 5.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 4 O4'-C1'-N19 101.888 -7.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.847 5 O4'-C4'-C3' 115.184 9.584 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.452 -6.619 3 P-O3'-C3' 127.58 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.345 4 O4'-C1'-N19 97.105 -13.369 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.866 3 O4'-C1'-N19 112.737 6.171 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.566 6.826 2 P-O3'-C3' 129.25 7.958 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.482 4.759 2 O4'-C1'-N19 118.657 13.571 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.451 -6.684 2 C4'-C3'-C2' 97.876 -5.324 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.602 11.325 1 C4'-C3'-C2' 98.299 -4.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.451 -7.74 3 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.548 -4.545 2 O4'-C1'-N19 113.96 7.7 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . 0.493 H2'' ' C8 ' ' B' ' 87' ' ' ' DA' . . . . . . . . 5 O4'--C4' 1.394 -4.749 2 O4'-C1'-N19 102.496 -6.63 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . 0.493 ' C8 ' H2'' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.573 5.455 2 C4'-C3'-C2' 97.224 -5.976 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.032 1 O4'-C1'-N19 113.097 6.621 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.681 6.148 1 O5'-C5'-C4' 116.761 4.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.369 -4.806 4 O4'-C1'-N19 121.241 16.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.473 -4.695 1 P-O3'-C3' 126.431 5.61 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.678 5.891 2 P-O3'-C3' 127.134 6.195 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.67 5.288 7 O4'-C1'-N19 116.105 10.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.508 -8.541 3 O4'-C1'-N19 112.973 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.842 0 CA-C-O 116.859 -2.078 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -41.28 -34.51 1.78 Allowed 'Trans proline' 0 C--N 1.298 -2.082 1 C-N-CA 133.031 9.154 . . . . 0.0 109.12 -175.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 47.83 2.21 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 117.761 -3.087 . . . . 0.0 111.638 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . 0.437 ' HD3' " H4'" ' B' ' 90' ' ' ' DA' . 41.2 tpt85 -69.72 -16.96 63.42 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.311 -1.493 . . . . 0.0 112.358 168.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.2 t -155.9 168.91 25.73 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-O 116.87 -1.538 . . . . 0.0 109.075 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -137.34 -47.32 0.57 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 130.54 3.536 . . . . 0.0 116.743 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 72.8 m -124.89 141.57 52.03 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 123.81 1.767 . . . . 0.0 114.007 -169.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -116.66 101.59 8.71 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 155.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.81 143.63 25.03 Favored 'General case' 0 N--CA 1.519 3.011 1 O-C-N 115.838 -4.289 . . . . 0.0 108.359 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p -102.25 166.91 10.32 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 130.246 3.418 . . . . 0.0 111.357 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.441 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 28' ' ' THR . . . . . 0.521 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . 0.521 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . 0.516 ' CD2' HD11 ' P' ' 35' ' ' LEU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -55.48 -55.82 27.41 Favored 'General case' 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -53.67 -37.44 63.18 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 126.159 2.162 . . . . 0.0 114.119 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.33 -55.9 20.86 Favored 'General case' 0 N--CA 1.533 3.704 0 C-N-CA 131.07 3.748 . . . . 0.0 112.486 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -63.91 -47.62 79.84 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.97 1.419 . . . . 0.0 114.13 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 33.5 mmm-85 -59.74 -51.38 70.01 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 128.152 2.581 . . . . 0.0 108.038 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -57.74 -49.12 77.64 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.199 -1.563 . . . . 0.0 113.316 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -57.53 -50.58 72.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.483 3.113 . . . . 0.0 108.876 -171.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.346 7.1 ptpt -70.97 -34.2 71.18 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.15 -57.2 12.88 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.014 0 O-C-N 125.469 1.73 . . . . 0.0 114.096 165.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.22 -32.67 66.74 Favored 'General case' 0 C--N 1.375 1.677 0 O-C-N 120.106 -1.621 . . . . 0.0 113.317 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 16.1 m -67.71 -5.04 14.1 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 117.43 -3.294 . . . . 0.0 116.394 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.24 -10.93 10.7 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.507 1.123 . . . . 0.0 113.537 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -87.77 113.5 23.49 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.298 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.301 11.2 p80 42.43 51.04 4.76 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 126.707 2.504 . . . . 0.0 110.283 -171.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.333 21.1 tttp -48.71 -55.36 11.6 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 125.083 2.373 . . . . 0.0 113.954 -167.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 51.43 19.07 0.74 Allowed 'General case' 0 C--O 1.209 -1.064 0 C-N-CA 130.771 3.628 . . . . 0.0 118.685 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -143.38 133.98 25.01 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 116.93 -3.606 . . . . 0.0 106.959 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.282 0 O-C-N 118.173 -2.829 . . . . 0.0 111.572 171.248 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.361 2 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.56 -3.299 1 P-O3'-C3' 124.508 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.2 5 O4'-C1'-N19 114.031 7.788 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.429 5 O4'-C1'-N19 102.403 -6.747 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.648 5.471 2 O4'-C1'-N19 102.686 -6.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.485 -4.31 1 O5'-C5'-C4' 116.173 4.266 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.568 3 O5'-C5'-C4' 123.079 9.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 6.948 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.362 -7.591 3 O4'-C1'-N19 115.116 9.144 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.57 7.38 4 O5'-C5'-C4' 118.944 6.246 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.498 1 C4'-C3'-O3' 100.269 -4.56 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.478 -4.973 3 O4'-C4'-C3' 112.058 6.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.97 5 O4'-C1'-N19 116.658 11.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.261 2 O4'-C1'-N19 113.703 7.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.083 3 O5'-C5'-C4' 120.711 7.508 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.16 1 O4'-C1'-N19 112.59 5.988 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.516 -7.698 2 O5'-C5'-C4' 120.138 7.099 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.585 9.197 2 O4'-C1'-N19 114.651 8.564 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.516 -7.587 2 P-O3'-C3' 126.758 5.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.951 4 C4'-C3'-C2' 93.86 -9.34 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.583 5.497 3 P-O3'-C3' 128.04 6.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . 0.437 " H4'" ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 3 C5'--C4' 1.551 5.001 2 C4'-C3'-C2' 96.201 -6.999 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . 0.43 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 2 C5'--C4' 1.582 8.835 4 O4'-C1'-C2' 112.796 6.087 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.364 2 P-O3'-C3' 126.407 5.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.881 3 O4'-C1'-N19 112.664 6.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.564 4.585 0 O4'-C1'-N19 105.095 -3.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 CA-C-O 120.239 -0.201 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -69.86 -10.07 27.6 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 C-N-CA 124.3 3.333 . . . . 0.0 115.732 171.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.457 ' HD2' H5'' ' B' ' 90' ' ' ' DA' . 0.0 OUTLIER -124.05 30.98 5.94 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 118.642 -2.536 . . . . 0.0 105.623 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.98 168.14 20.98 Favored 'General case' 0 N--CA 1.518 2.953 0 C-N-CA 130.528 3.531 . . . . 0.0 111.912 -177.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.429 14.8 t -71.62 161.1 31.53 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 118.528 -2.608 . . . . 0.0 114.558 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -96.68 7.45 46.54 Favored 'General case' 0 N--CA 1.529 3.504 0 CA-C-N 121.275 1.852 . . . . 0.0 112.612 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -89.43 146.14 24.85 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 129.623 3.169 . . . . 0.0 114.761 169.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -152.87 104.14 2.82 Favored 'General case' 0 N--CA 1.4 -2.94 1 N-CA-C 98.285 -4.709 . . . . 0.0 98.285 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -57.79 145.8 33.65 Favored 'General case' 0 C--O 1.28 2.699 0 O-C-N 126.946 2.654 . . . . 0.0 114.952 -169.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p -102.28 167.29 10.08 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.969 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 13' ' ' GLN . . . . . 0.481 HE22 ' CD2' ' P' ' 41' ' ' LEU . 72.6 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.447 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 27' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' P' ' 50' ' ' PHE . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 39' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.481 ' CD2' HE22 ' P' ' 13' ' ' GLN . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 49' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 50' ' ' PHE . . . . . 0.427 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -66.27 -55.12 17.64 Favored 'General case' 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -53.44 -37.25 62.4 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 125.988 2.055 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -78.54 -33.45 47.83 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.208 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -60.48 -45.86 92.22 Favored 'General case' 0 N--CA 1.539 3.982 0 CA-C-N 120.799 1.636 . . . . 0.0 113.522 164.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -56.56 -57.62 11.56 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 168.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -51.0 -43.26 60.78 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 119.836 -1.79 . . . . 0.0 109.703 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -70.84 -47.48 59.11 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.049 3.339 . . . . 0.0 110.193 -174.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -72.25 -37.11 69.18 Favored 'General case' 0 C--O 1.193 -1.89 0 O-C-N 117.324 -3.36 . . . . 0.0 109.292 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.23 -51.15 50.5 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 126.464 3.031 . . . . 0.0 110.763 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.08 -40.27 84.74 Favored 'General case' 0 CA--C 1.464 -2.341 0 C-N-CA 127.816 2.447 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -81.07 0.22 36.94 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -134.37 -41.91 0.79 Allowed 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 125.331 1.453 . . . . 0.0 111.266 -164.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.68 -39.48 91.59 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 118.756 -2.465 . . . . 0.0 112.635 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.85 157.03 46.38 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 126.403 2.315 . . . . 0.0 116.037 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 72.5 tttt 34.71 49.72 0.39 Allowed 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 126.683 1.993 . . . . 0.0 113.171 170.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.4 145.98 52.44 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 118.925 -2.36 . . . . 0.0 111.361 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -143.68 -8.77 0.73 Allowed 'General case' 0 C--O 1.264 1.826 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 CA--C 1.573 1.835 0 CA-C-O 112.784 -3.484 . . . . 0.0 114.901 -164.11 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.382 -5.801 1 O4'-C1'-N19 118.711 13.638 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.401 3 O4'-C4'-C3' 115.802 10.202 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.764 5 O4'-C1'-N19 118.958 13.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.559 3.132 2 O4'-C4'-C3' 111.318 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.597 3 P-O3'-C3' 125.74 5.034 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.376 3 O4'-C1'-N19 101.133 -8.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 2 O4'-C1'-N19 115.173 9.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.615 9.656 2 P-O3'-C3' 131.64 9.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.589 9.771 3 C5'-C4'-C3' 107.201 -4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.561 3 O4'-C4'-C3' 111.208 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.598 8.046 3 P-O3'-C3' 128.59 7.408 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.409 4 O4'-C1'-C2' 113.657 6.87 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.806 4 O4'-C1'-N19 119.227 14.284 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.354 -8.325 1 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.565 4.747 4 O4'-C1'-N19 101.478 -7.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.652 5.876 3 C4'-C3'-C2' 96.401 -6.799 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.354 -5.354 4 O4'-C1'-N19 119.926 15.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.586 9.361 2 O4'-C4'-C3' 110.505 4.905 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.641 4.806 1 C5'-C4'-C3' 121.425 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 4 C5'-C4'-C3' 105.848 -5.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.474 -4.428 3 O4'-C1'-N19 115.177 9.221 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ' DA' . . . . . 0.457 H5'' ' HD2' ' P' ' 3' ' ' ARG . . . . . . . . 2 O4'--C4' 1.386 -5.498 3 P-O3'-C3' 127.507 6.506 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 7.573 4 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.499 -9.01 4 O4'-C1'-N19 115.559 9.699 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ' DG' . . . . . 0.404 H2'' ' C6 ' ' B' ' 94' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.557 5.79 2 O5'-C5'-C4' 120.507 7.362 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ' DC' . . . . . 0.404 ' C6 ' H2'' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.932 6 C5'-C4'-C3' 104.028 -7.115 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 CA--C 1.478 -1.817 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.604 HD21 HD11 ' P' ' 39' ' ' LEU . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' P' ' 31' ' ' ARG . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.531 ' HB3' HD23 ' P' ' 27' ' ' LEU . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' P' ' 27' ' ' LEU . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.604 HD11 HD21 ' P' ' 17' ' ' LEU . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.509 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' P' ' 17' ' ' LEU . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt . . . . . 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' P' ' 50' ' ' PHE . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 33' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' P' ' 36' ' ' SER . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' P' ' 39' ' ' LEU 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' P' P ' 36' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' P' ' 33' ' ' ALA . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' P' ' 35' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.422 ' HE3' ' CD2' ' P' ' 50' ' ' PHE . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' P' ' 27' ' ' LEU . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt . . . . . 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.593 ' CD2' HD21 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' P' ' 47' ' ' LYS . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.411 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' P' ' 38' ' ' LYS . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' P' ' 34' ' ' ASP . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' P' ' 27' ' ' LEU . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt . . . . . 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' ARG . . . . . 0.537 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' P' ' 32' ' ' LEU . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' P' ' 27' ' ' LEU . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? . . . . . 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.266 1.936 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.578 HD21 HG13 ' P' ' 46' ' ' VAL . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 20' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' P' ' 35' ' ' LEU . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 21' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 25' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 26' ' ' TYR . . . . . 0.4 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.45 HD11 ' HG3' ' P' ' 47' ' ' LYS 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 36' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' LYS . . . . . 0.446 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.578 HG13 HD21 ' P' ' 17' ' ' LEU . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' P' ' 27' ' ' LEU . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.485 ' N ' HE21 ' P' ' 13' ' ' GLN . 44.9 p . . . . . 0 CA--C 1.579 2.069 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 13' ' ' GLN . . . . . 0.485 HE21 ' N ' ' P' ' 10' ' ' THR . 38.9 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.632 ' HG ' HD21 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.281 39.0 m80 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.497 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 29' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.497 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.507 HD23 ' C ' ' P' ' 32' ' ' LEU . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.632 HD21 ' HG ' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? . . . . . 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 105.269 -2.122 . . . . 0.0 105.269 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 13' ' ' GLN . . . . . 0.416 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 20' ' ' HIS . . . . . 0.481 ' HB2' HD21 ' P' ' 35' ' ' LEU . 61.7 m80 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' P' ' 47' ' ' LYS . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' P' ' 43' ' ' THR 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.519 ' CA ' HD21 ' P' ' 32' ' ' LEU . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.681 ' HA ' HD12 ' P' ' 27' ' ' LEU . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 13' ' ' GLN . . . . . 0.418 ' HA ' HD23 ' P' ' 39' ' ' LEU . 26.2 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.472 ' HG ' HD21 ' P' ' 39' ' ' LEU . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' P' ' 21' ' ' PHE . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' P' ' 18' ' ' GLU . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 26' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' P' ' 50' ' ' PHE 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.672 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.439 HD21 ' O ' ' P' ' 43' ' ' THR . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.472 HD21 ' HG ' ' P' ' 17' ' ' LEU 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.439 ' O ' HD21 ' P' ' 32' ' ' LEU . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 44' ' ' ALA . . . . . 0.481 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' P' ' 27' ' ' LEU . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.638 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.476 HD11 HG12 ' P' ' 46' ' ' VAL . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.451 ' HB2' HD22 ' P' ' 27' ' ' LEU . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.638 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.488 HD11 HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.476 HG12 HD11 ' P' ' 27' ' ' LEU . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' P' ' 27' ' ' LEU . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.674 HD11 HG12 ' P' ' 46' ' ' VAL . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.424 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' P' ' 16' ' ' GLU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.674 HG12 HD11 ' P' ' 27' ' ' LEU . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.404 ' HG2' HD12 ' P' ' 27' ' ' LEU . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 48' ' ' ILE . . . . . 0.79 HD13 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 51' ' ' LYS . . . . . 0.79 ' HE2' HD13 ' P' ' 48' ' ' ILE . 4.4 mtpt . . . . . 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.628 ' CD2' HD11 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' P' ' 27' ' ' LEU . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 48' ' ' ILE . . . . . 0.429 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.502 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' P' ' 39' ' ' LEU . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' P' ' 47' ' ' LYS . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.498 HD12 HD11 ' P' ' 27' ' ' LEU . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 38' ' ' LYS . . . . . 0.497 ' HZ2' ' HB2' ' P' ' 38' ' ' LYS . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.603 HD21 ' HG ' ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' P' ' 41' ' ' LEU . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' P' ' 27' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt . . . . . 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.598 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.731 HD11 HG12 ' P' ' 46' ' ' VAL . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.598 HD11 HD21 ' P' ' 17' ' ' LEU . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' P' ' 41' ' ' LEU . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.731 HG12 HD11 ' P' ' 27' ' ' LEU . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' P' ' 27' ' ' LEU . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' P' ' 49' ' ' TRP . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' P' ' 27' ' ' LEU . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.421 HD12 HD13 ' P' ' 39' ' ' LEU . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.481 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.681 ' CG ' HD13 ' P' ' 17' ' ' LEU . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 13' ' ' GLN . . . . . 0.486 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 32.9 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.476 HD22 ' H ' ' P' ' 27' ' ' LEU . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.504 HD21 ' O ' ' P' ' 43' ' ' THR 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.504 ' O ' HD21 ' P' ' 32' ' ' LEU . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' P' ' 32' ' ' LEU . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' P' ' 27' ' ' LEU . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.409 -2.476 0 CA-C-O 120.58 0.228 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.527 HD21 HD11 ' P' ' 39' ' ' LEU . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.441 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 29' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' P' ' 47' ' ' LYS . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 34' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' P' ' 39' ' ' LEU . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.748 HD13 HD12 ' P' ' 41' ' ' LEU 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.748 HD12 HD13 ' P' ' 39' ' ' LEU . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' P' ' 32' ' ' LEU . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? . . . . . 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.195 -1.792 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 13' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.807 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' P' ' 22' ' ' LEU . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 20' ' ' HIS . . . . . 0.559 ' HB2' HD11 ' P' ' 35' ' ' LEU . 42.6 m80 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' P' ' 18' ' ' GLU . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' P' ' 50' ' ' PHE . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.447 ' CD1' ' HG ' ' P' ' 27' ' ' LEU . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' P' ' 41' ' ' LEU . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.409 ' HB ' HD12 ' P' ' 32' ' ' LEU . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' P' ' 27' ' ' LEU . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.601 ' HB2' HD11 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 20' ' ' HIS . . . . . 0.411 ' HB2' HD11 ' P' ' 35' ' ' LEU . 60.9 m80 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.947 0.88 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 16' ' ' GLU . . . . . 0.642 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' P' ' 47' ' ' LYS . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 28' ' ' THR . . . . . 0.514 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 31' ' ' ARG . . . . . 0.514 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 35' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' P' ' 27' ' ' LEU . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt . . . . . 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.507 2.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 27' ' ' LEU . . . . . 0.638 HD11 HG12 ' P' ' 46' ' ' VAL . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 32' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' P' ' 43' ' ' THR 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' P' ' 17' ' ' LEU . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 43' ' ' THR . . . . . 0.494 ' HB ' HD21 ' P' ' 32' ' ' LEU . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 46' ' ' VAL . . . . . 0.638 HG12 HD11 ' P' ' 27' ' ' LEU . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 47' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 49' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 50' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.961 0 CA-C-O 116.14 -2.478 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -64.15 -24.64 65.88 Favored 'Trans proline' 0 N--CA 1.509 2.428 1 CA-C-N 124.247 4.024 . . . . 0.0 117.905 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.5 70.09 0.18 Allowed 'General case' 0 CA--C 1.498 -1.024 1 C-N-CA 133.842 4.857 . . . . 0.0 113.182 -178.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 167.61 2.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 169.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 5' ' ' THR . . . . . 0.456 ' C ' ' H ' ' P' ' 7' ' ' THR . 7.7 p 42.94 49.35 5.2 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 125.243 2.449 . . . . 0.0 116.252 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -63.8 9.67 0.06 Allowed 'General case' 0 C--O 1.267 1.984 0 C-N-CA 130.557 3.543 . . . . 0.0 112.564 164.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' THR . . . . . 0.456 ' H ' ' C ' ' P' ' 5' ' ' THR . 34.4 m -162.57 155.03 19.14 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 126.115 2.865 . . . . 0.0 105.538 -175.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 109.67 -3.423 . . . . 0.0 109.799 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -65.61 164.71 13.73 Favored 'General case' 0 C--O 1.254 1.335 0 C-N-CA 129.933 3.293 . . . . 0.0 111.001 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -142.73 172.81 12.19 Favored 'General case' 0 CA--C 1.478 -1.817 1 CA-C-N 105.541 -5.299 . . . . 0.0 109.751 167.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.604 HD21 HD11 ' P' ' 39' ' ' LEU . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' P' ' 31' ' ' ARG . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.531 ' HB3' HD23 ' P' ' 27' ' ' LEU . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' P' ' 27' ' ' LEU . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.604 HD11 HD21 ' P' ' 17' ' ' LEU . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.509 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' P' ' 17' ' ' LEU . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -62.57 -57.87 9.59 Favored 'General case' 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -55.41 -39.79 70.65 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 115.21 -2.329 . . . . 0.0 108.687 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -64.92 -50.75 65.24 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-N 121.865 2.12 . . . . 0.0 108.684 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -53.84 -44.37 70.25 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 123.455 2.843 . . . . 0.0 114.106 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.443 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 44.2 mmm-85 -59.04 -48.83 80.16 Favored 'General case' 0 N--CA 1.528 3.429 0 O-C-N 118.448 -2.657 . . . . 0.0 107.282 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -41.28 97.01 Favored 'General case' 1 N--CA 1.559 5.023 0 C-N-CA 124.587 1.155 . . . . 0.0 110.29 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.64 -60.31 3.7 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 119.745 1.157 . . . . 0.0 112.846 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -23.62 63.46 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.99 -54.09 38.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 O-C-N 124.303 1.002 . . . . 0.0 110.052 169.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.31 -26.12 66.37 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 124.832 1.333 . . . . 0.0 112.198 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.274 4.3 p -80.98 -37.24 29.64 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 122.215 2.279 . . . . 0.0 108.084 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . 0.277 0.6 OUTLIER -64.68 -38.93 92.69 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 120.519 1.509 . . . . 0.0 111.969 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.43 -2.56 0.21 Allowed 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.85 31.18 3.95 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 128.861 2.865 . . . . 0.0 114.068 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -56.44 145.66 26.91 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 124.921 1.388 . . . . 0.0 114.517 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -123.62 -176.49 3.47 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 166.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -157.16 165.6 35.53 Favored 'General case' 0 CA--C 1.611 3.301 0 C-N-CA 125.208 1.403 . . . . 0.0 107.908 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.1 p . . . . . 0 CA--C 1.573 1.858 0 C-N-CA 127.218 2.207 . . . . 0.0 111.262 -179.14 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.584 5.581 1 O5'-C5'-C4' 117.198 4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.337 -6.412 3 C4'-C3'-C2' 98.078 -5.122 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.167 4 O4'-C1'-N19 113.143 6.679 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 1 O4'-C1'-N19 114.491 8.364 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.463 -5.545 2 O4'-C1'-N19 114.157 7.947 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.483 4.855 3 O4'-C1'-N19 101.771 -7.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . 0.409 " H4'" ' H ' ' P' ' 5' ' ' THR . . . . . . . . 0 C4'--C3' 1.551 2.272 1 O4'-C1'-N19 113.732 7.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . 0.445 H2'' ' C6 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.56 6.073 3 P-O3'-C3' 127.916 6.847 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . 0.445 ' C6 ' H2'' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 P--O3' 1.526 -6.721 1 O4'-C1'-N19 103.789 -5.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' A' ' 77' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.377 -4.179 1 C5'-C4'-C3' 124.651 6.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 5.05 2 P-O3'-C3' 125.811 5.092 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.815 2 P-O3'-C3' 126.51 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.363 -4.401 2 C1'-O4'-C4' 101.548 -5.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.774 2 C5'-C4'-C3' 123.869 6.113 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.591 10.024 3 P-O3'-C3' 130.641 9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.673 8.023 0 C4'-C3'-O3' 102.463 -3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.443 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 1 C3'--C2' 1.61 9.156 4 O4'-C1'-N19 115.049 9.061 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.667 7.384 5 C4'-C3'-C2' 111.749 8.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.051 2 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.584 6.595 2 O4'-C1'-N19 115.306 9.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.66 6.719 2 O4'-C1'-N19 102.981 -6.024 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.346 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--OP2 1.412 -4.317 6 O4'-C1'-N19 114.785 8.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 7.958 2 O4'-C1'-N19 116.051 10.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.175 4 O4'-C1'-C2' 95.806 -9.359 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O3'--C3' 1.328 -7.958 1 O4'-C1'-N19 101.908 -7.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.878 0 CA-C-O 115.046 -3.086 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.06 -43.46 7.28 Favored 'Trans proline' 0 CA--C 1.475 -2.44 0 O-C-N 124.964 2.034 . . . . 0.0 115.742 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -149.38 118.21 6.66 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 127.714 2.406 . . . . 0.0 106.24 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 150.0 34.28 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.768 -168.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -117.89 162.0 18.84 Favored 'General case' 0 N--CA 1.426 -1.637 0 O-C-N 126.836 2.585 . . . . 0.0 114.196 -167.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.48 133.65 15.2 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 111.871 -2.422 . . . . 0.0 110.788 162.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -26.74 121.69 0.08 Allowed 'General case' 0 N--CA 1.531 3.605 0 CA-C-N 112.209 -2.269 . . . . 0.0 117.034 156.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.9 m -99.6 111.72 24.03 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.012 -1.68 . . . . 0.0 108.718 -168.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -58.39 157.26 8.95 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p -120.98 166.55 13.68 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 168.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' P' ' 50' ' ' PHE . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 33' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' P' ' 36' ' ' SER . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' P' ' 39' ' ' LEU 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' P' P ' 36' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' P' ' 33' ' ' ALA . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' P' ' 35' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.422 ' HE3' ' CD2' ' P' ' 50' ' ' PHE . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' P' ' 27' ' ' LEU . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt -58.49 -59.06 5.96 Favored 'General case' 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -39.83 82.2 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 119.694 1.134 . . . . 0.0 112.757 175.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -65.89 -44.52 85.07 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 120.89 -1.132 . . . . 0.0 113.035 -174.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.685 HH21 " H3'" ' B' ' 84' ' ' ' DG' 0.4 0.0 OUTLIER -67.58 -44.94 76.95 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 127.517 3.011 . . . . 0.0 110.932 177.341 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -54.92 -51.81 64.91 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 100.423 -3.917 . . . . 0.0 100.423 -172.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -65.42 -43.34 90.82 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-O 122.498 1.142 . . . . 0.0 111.318 -169.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -53.4 -53.42 51.51 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.038 1.335 . . . . 0.0 109.295 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -65.6 -46.69 78.41 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 26.1 mt -53.63 -56.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 O-C-N 125.774 1.921 . . . . 0.0 114.774 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -52.46 -34.16 47.62 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.498 -1.715 . . . . 0.0 113.114 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.305 40.0 m -70.07 -25.61 63.61 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.83 -60.56 2.13 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.113 163.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.273 14.2 pt20 -67.52 -2.77 7.07 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 -162.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -121.01 1.34 10.37 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 117.99 -2.944 . . . . 0.0 116.337 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.46 161.66 34.83 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 127.512 2.325 . . . . 0.0 112.652 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.07 151.07 38.24 Favored 'General case' 0 CA--C 1.59 2.511 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -160.04 -51.31 0.05 Allowed 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.339 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.533 3.705 0 O-C-N 120.821 -1.174 . . . . 0.0 110.346 -173.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.551 5.045 6 O4'-C1'-N19 117.706 12.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.45 -5.072 3 C3'-C2'-C1' 108.53 4.164 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.909 6 C4'-C3'-C2' 95.379 -7.821 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.531 -6.365 2 O3'-P-O5' 113.125 4.803 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.364 -7.438 3 O4'-C1'-N19 119.496 14.619 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.432 -9.609 2 O5'-C5'-C4' 122.651 8.894 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.589 6.131 3 O4'-C1'-N19 113.824 7.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.423 1 C5'-C4'-C3' 108.478 -4.148 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 7.64 3 O5'-C5'-C4' 119.198 6.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.539 -5.685 6 O4'-C1'-N19 115.944 10.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.581 8.808 2 O4'-C1'-C2' 99.482 -6.016 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.575 4.723 4 P-O3'-C3' 126.933 6.027 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.41 3 O3'-P-O5' 92.076 -6.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.567 4.882 0 O5'-C5'-C4' 115.162 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 8.056 1 O4'-C1'-N19 113.621 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . 0.685 " H3'" HH21 ' P' ' 54' ' ' ARG . . . . . . . . 3 P--O5' 1.651 5.771 2 O3'-P-O5' 91.467 -6.596 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.576 4 O4'-C1'-C2' 98.113 -7.261 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.572 3.668 3 O4'-C1'-N19 115.377 9.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.448 -7.044 0 O5'-C5'-C4' 104.945 -3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.538 -5.527 3 P-O3'-C3' 129.262 7.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.539 -5.35 6 O4'-C1'-N19 114.103 7.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.653 3 O4'-C1'-C2' 99.67 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.646 3.254 1 P-O5'-C5' 114.396 -4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . 0.401 " O5'" " H2'" ' B' ' 92' ' ' ' DA' . . . . . . . . 2 P--O3' 1.675 5.657 3 C4'-C3'-O3' 99.51 -4.904 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.348 -8.93 1 C3'-C2'-C1' 94.304 -5.997 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.575 8.028 3 O4'-C1'-N19 114.012 7.764 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.322 0 N-CA-C 108.166 -1.974 . . . . 0.0 108.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -53.81 -26.53 39.42 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 N-CA-C 118.698 2.538 . . . . 0.0 118.698 164.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.88 25.15 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 127.977 2.511 . . . . 0.0 105.712 166.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.426 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 45.6 tpt85 -155.95 -17.03 0.1 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.571 1.948 . . . . 0.0 116.217 -170.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.3 p -143.96 -170.91 3.44 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -23.05 0.67 Allowed 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 170.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -164.78 134.43 3.73 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.807 1.942 . . . . 0.0 109.294 -164.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 42.7 m -101.29 120.82 40.83 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.59 1.956 . . . . 0.0 106.973 165.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -72.12 177.02 4.65 Favored 'General case' 0 N--CA 1.432 -1.325 0 C-N-CA 127.354 2.261 . . . . 0.0 114.465 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p -132.5 161.14 34.52 Favored 'General case' 0 C--N 1.309 -1.174 1 O-C-N 114.52 -5.113 . . . . 0.0 111.337 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.593 ' CD2' HD21 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' TYR . . . . . 0.629 ' HA ' HH22 ' P' ' 54' ' ' ARG . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' P' ' 47' ' ' LYS . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.411 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' P' ' 38' ' ' LYS . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' P' ' 34' ' ' ASP . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' P' ' 27' ' ' LEU . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.435 ' HD1' HH12 ' P' ' 54' ' ' ARG . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 51' ' ' LYS . . . . . 0.567 ' HE3' ' N7 ' ' B' ' 85' ' ' ' DG' . 16.9 mtpt -72.2 -54.14 10.53 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -69.99 -29.1 66.11 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 117.809 -3.057 . . . . 0.0 111.86 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 44.1 ttt85 -62.23 -48.5 79.7 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 114.515 -2.659 . . . . 0.0 113.619 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.629 HH22 ' HA ' ' P' ' 26' ' ' TYR . 39.5 mtt85 -57.0 -56.15 25.41 Favored 'General case' 0 C--O 1.251 1.139 0 CA-C-O 116.477 -1.725 . . . . 0.0 110.756 170.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -47.02 -45.79 21.47 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.396 2.623 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -71.83 -41.37 68.25 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 125.543 1.537 . . . . 0.0 113.824 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.458 4.5 ptpt -63.65 -38.92 92.95 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 167.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.18 -48.37 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 C-N-CA 127.445 2.298 . . . . 0.0 110.078 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -56.82 -37.62 71.45 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 119.702 -1.874 . . . . 0.0 111.245 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -60.81 -33.36 72.88 Favored 'General case' 0 N--CA 1.538 3.949 0 O-C-N 118.529 -2.607 . . . . 0.0 115.983 170.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.26 -42.34 72.29 Favored 'General case' 0 N--CA 1.522 3.13 0 O-C-N 125.473 1.733 . . . . 0.0 114.381 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -124.87 1.97 8.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 114.247 -2.787 . . . . 0.0 118.383 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.84 -2.67 0.92 Allowed 'General case' 0 N--CA 1.516 2.839 0 O-C-N 126.331 2.269 . . . . 0.0 113.348 -160.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -135.18 165.09 26.2 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 118.401 -1.32 . . . . 0.0 108.862 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.73 109.53 5.23 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 128.161 2.585 . . . . 0.0 109.352 174.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -140.0 17.4 2.46 Favored 'General case' 1 C--O 1.308 4.151 0 O-C-N 128.724 3.765 . . . . 0.0 113.161 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 1 CA--C 1.636 4.274 0 CA-C-O 114.885 -2.484 . . . . 0.0 110.748 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.432 -9.608 2 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.605 3 P-O3'-C3' 130.306 8.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.399 2 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.628 11.025 2 O4'-C1'-N19 116.522 10.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.529 2 C1'-O4'-C4' 103.673 -4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.19 1 O4'-C1'-N19 102.703 -6.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.55 -4.763 3 O4'-C1'-N19 114.165 7.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.351 -8.672 3 O4'-C1'-C2' 99.115 -6.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.163 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.673 8.03 1 O4'-C4'-C3' 109.886 4.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.158 0 O4'-C1'-C2' 102.0 -3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.115 6 O4'-C1'-C2' 97.926 -7.431 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.561 6.271 3 O5'-C5'-C4' 117.188 4.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 4.554 1 N19-C1'-C2' 121.145 4.341 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.745 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.253 3 C4'-C3'-C2' 98.607 -4.593 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.567 ' N7 ' ' HE3' ' P' ' 51' ' ' LYS . . . . . . . . 4 P--O3' 1.503 -8.678 5 P-O5'-C5' 131.712 6.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.404 ' OP1' " H4'" ' B' ' 85' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.574 7.857 3 O4'-C1'-C2' 112.433 5.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.664 4.754 3 O4'-C1'-C2' 98.075 -7.295 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.899 3 C1'-O4'-C4' 101.781 -5.657 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.584 5.632 4 O4'-C4'-C3' 110.952 5.352 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.585 9.19 1 C3'-C2'-C1' 96.298 -4.573 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.426 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 3 C4'--C3' 1.623 9.459 2 O4'-C1'-C2' 113.6 6.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.675 5.69 3 P-O3'-C3' 126.257 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.005 3 O4'-C1'-N19 115.319 9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.014 3 O5'-C5'-C4' 118.879 6.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' P' P ' 1' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' P' ' 4' ' ' ARG . . . . . . . . 0 CA--C 1.55 2.273 0 N-CA-C 106.776 -2.53 . . . . 0.0 106.776 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.344 48.1 Cg_exo -35.71 -43.99 0.66 Allowed 'Trans proline' 0 N--CA 1.437 -1.817 1 C-N-CA 125.411 4.074 . . . . 0.0 116.797 171.045 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.549 ' HB3' H5'' ' A' ' 75' ' ' ' DA' . 0.7 OUTLIER -120.62 -25.16 5.58 Favored 'General case' 0 C--O 1.18 -2.596 0 C-N-CA 129.954 3.301 . . . . 0.0 114.438 175.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.48 ' HB3' ' HA3' ' P' ' 1' ' ' GLY . 64.8 ttp85 -67.96 -29.26 68.27 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 115.064 -2.398 . . . . 0.0 114.9 168.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -135.98 -23.21 1.35 Allowed 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 122.383 2.356 . . . . 0.0 113.508 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.299 2.0 ttp180 -128.23 22.92 6.06 Favored 'General case' 0 N--CA 1.477 0.914 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -173.519 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' P' P ' 7' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' P' ' 3' ' ' ARG . 27.5 m -152.77 134.93 14.91 Favored 'General case' 0 C--O 1.19 -2.062 0 C-N-CA 127.867 2.467 . . . . 0.0 112.666 166.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -125.47 120.83 32.06 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 164.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -73.88 162.93 28.58 Favored 'General case' 0 CA--C 1.482 -1.64 2 CA-C-N 127.583 4.72 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p -118.52 176.5 5.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.779 1.924 . . . . 0.0 111.748 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' ARG . . . . . 0.537 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' P' ' 32' ' ' LEU . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' P' ' 27' ' ' LEU . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.442 ' HG ' HD21 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -62.96 -57.34 11.07 Favored 'General case' 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -60.19 -31.4 70.11 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.792 1.307 . . . . 0.0 108.838 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -65.59 -52.22 53.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 117.805 -3.059 . . . . 0.0 110.298 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -54.28 -56.21 20.68 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 126.929 2.092 . . . . 0.0 106.692 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.495 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 3.5 tpt180 -62.07 -46.82 87.42 Favored 'General case' 0 C--N 1.408 3.12 0 CA-C-O 116.516 -1.707 . . . . 0.0 109.121 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -64.03 -33.82 76.61 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 119.952 1.251 . . . . 0.0 111.696 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -64.01 -52.89 57.39 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.686 0.794 . . . . 0.0 110.426 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' P' ' 55' ' ' ARG 0.33 5.9 ptpt -54.38 -49.8 69.0 Favored 'General case' 0 CA--C 1.595 2.683 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 172.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 64.2 mt -51.52 -57.87 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 C-N-CA 128.42 2.688 . . . . 0.0 111.184 172.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.43 -30.32 69.56 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 116.768 -1.973 . . . . 0.0 114.059 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.89 -37.84 82.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.407 -0.808 . . . . 0.0 111.661 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.49 -24.24 64.66 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 116.706 -1.616 . . . . 0.0 114.645 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -90.15 -32.38 16.67 Favored 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 125.535 1.534 . . . . 0.0 112.087 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -124.9 -13.01 6.98 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.583 2.753 . . . . 0.0 114.338 -166.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.293 17.6 ttmt -136.39 -17.28 1.55 Allowed 'General case' 0 N--CA 1.487 1.388 1 N-CA-C 122.548 4.277 . . . . 0.0 122.548 -178.687 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.01 -23.61 66.54 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-O 126.24 2.924 . . . . 0.0 112.263 173.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . 0.262 11.1 tp-100 -146.77 163.48 35.85 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 117.489 -3.257 . . . . 0.0 111.213 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 122.475 1.131 . . . . 0.0 111.507 -176.638 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.567 7.0 3 O4'-C1'-N19 112.578 5.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.527 -6.56 4 O4'-C4'-C3' 111.818 6.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.653 1 N19-C1'-C2' 107.131 -4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.61 2 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.076 4 O4'-C1'-N19 100.505 -9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.365 -7.354 3 P-O3'-C3' 127.965 6.888 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . 0.549 H5'' ' HB3' ' P' ' 3' ' ' ARG . . . . . . . . 7 C5'--C4' 1.567 7.035 2 C5'-C4'-C3' 121.651 4.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.705 1 P-O3'-C3' 125.767 5.056 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.239 2 O5'-C5'-C4' 122.68 8.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.567 3 P-O3'-C3' 127.901 6.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.365 -5.106 1 P-O3'-C3' 127.124 6.187 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.042 5 O4'-C1'-N19 111.941 5.177 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.526 -6.718 6 O4'-C1'-N19 117.625 12.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.805 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.59 4.944 2 O4'-C1'-N19 114.291 8.114 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.799 4 O4'-C4'-C3' 100.222 -5.378 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.727 1 O4'-C1'-N19 113.827 7.534 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.546 -5.111 3 O3'-P-O5' 93.041 -5.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.767 2 O5'-C5'-C4' 118.985 6.275 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . 0.462 " C2'" ' H71' ' B' ' 89' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.577 8.193 2 O4'-C1'-N19 112.281 5.601 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . 0.462 ' H71' " C2'" ' B' ' 88' ' ' ' DT' . . . . . . . . 2 C3'--C2' 1.574 5.646 1 O5'-C5'-C4' 117.449 5.178 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.122 3 O4'-C1'-N19 103.523 -5.346 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.089 1 O4'-C4'-C3' 111.278 5.678 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.252 1 P-O3'-C3' 127.185 6.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.581 6.25 3 P-O3'-C3' 127.763 6.719 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.532 -6.26 4 O4'-C4'-C3' 113.071 7.471 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.296 4.021 0 CA-C-O 117.747 -1.585 . . . . 0.0 109.719 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.305 37.3 Cg_endo -59.73 -34.8 95.93 Favored 'Trans proline' 0 C--N 1.386 2.523 0 O-C-N 126.416 2.798 . . . . 0.0 118.671 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -111.39 -16.69 13.29 Favored 'General case' 0 C--O 1.197 -1.677 0 O-C-N 125.507 1.754 . . . . 0.0 113.634 -170.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -47.46 -18.33 0.12 Allowed 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -150.64 170.75 18.43 Favored 'General case' 0 N--CA 1.395 -3.179 0 C-N-CA 127.649 2.38 . . . . 0.0 111.424 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 62.23 -15.53 0.05 Allowed 'General case' 1 C--O 1.309 4.188 0 N-CA-C 119.742 3.238 . . . . 0.0 119.742 171.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 140.76 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 129.814 3.245 . . . . 0.0 112.133 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.01 19.45 1.61 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 57.33 174.85 0.05 OUTLIER 'General case' 0 N--CA 1.403 -2.79 1 C-N-CA 132.812 4.445 . . . . 0.0 115.876 -167.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p -140.46 161.41 37.78 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 116.496 -3.878 . . . . 0.0 111.932 164.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.578 HD21 HG13 ' P' ' 46' ' ' VAL . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.525 ' CD ' HH12 ' P' ' 53' ' ' ARG . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 20' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' P' ' 35' ' ' LEU . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 21' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 25' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 26' ' ' TYR . . . . . 0.4 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.45 HD11 ' HG3' ' P' ' 47' ' ' LYS 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 36' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' LYS . . . . . 0.446 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.578 HG13 HD21 ' P' ' 17' ' ' LEU . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' P' ' 27' ' ' LEU . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -52.24 -51.28 59.3 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -34.03 76.56 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 117.155 -3.465 . . . . 0.0 112.436 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.525 HH12 ' CD ' ' P' ' 18' ' ' GLU . 16.1 ttt85 -53.48 -47.8 69.48 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 116.424 -3.922 . . . . 0.0 111.939 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.9 mmt180 -66.49 -48.8 68.68 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.512 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 37.5 mmm-85 -56.44 -53.33 58.74 Favored 'General case' 0 CA--C 1.572 1.825 0 O-C-N 119.59 -1.944 . . . . 0.0 107.751 174.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -56.85 -49.74 74.55 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.259 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.38 -49.14 70.43 Favored 'General case' 0 CA--C 1.593 2.626 0 C-N-CA 126.77 2.028 . . . . 0.0 107.496 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.509 0.2 OUTLIER -53.34 -37.45 62.35 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 118.631 -2.543 . . . . 0.0 116.649 175.058 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.0 -47.6 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-N 110.754 -2.93 . . . . 0.0 111.773 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.74 -34.1 57.87 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 118.135 2.642 . . . . 0.0 118.135 164.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -71.21 -47.77 55.41 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-O 123.982 1.849 . . . . 0.0 113.625 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.8 67.96 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 171.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -88.22 -25.14 23.04 Favored 'General case' 0 C--N 1.411 3.248 0 C-N-CA 126.799 2.039 . . . . 0.0 112.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.408 2.7 t60 55.62 23.44 6.12 Favored 'General case' 0 N--CA 1.518 2.934 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 171.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -84.98 22.31 1.43 Allowed 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 125.556 1.542 . . . . 0.0 110.496 -173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -82.75 165.77 19.63 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -147.79 146.87 29.33 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 125.83 1.652 . . . . 0.0 108.13 168.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.276 2.472 0 C-N-CA 129.458 3.103 . . . . 0.0 112.797 162.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.484 -4.418 0 O4'-C1'-N19 104.662 -3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.712 3 O4'-C1'-C2' 100.051 -5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.372 -4.271 7 O4'-C4'-C3' 112.166 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.63 11.164 1 C4'-C3'-O3' 101.328 -4.078 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.623 9.496 5 O4'-C1'-N19 100.735 -8.831 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.525 -6.794 2 O4'-C1'-N19 100.349 -9.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.348 3 C4'-C3'-C2' 95.686 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.911 3 P-O3'-C3' 126.429 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.663 7.014 1 O4'-C1'-N19 113.329 6.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.58 6.166 1 C5'-C4'-O4' 121.865 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.098 3 O4'-C1'-N19 115.905 10.131 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 7.572 2 P-O3'-C3' 129.229 7.941 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.419 -3.89 2 C3'-C2'-C1' 95.973 -4.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.728 3 O4'-C1'-N19 112.794 6.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . 0.439 " H1'" ' C8 ' ' B' ' 84' ' ' ' DG' . . . . . . . . 3 C4'--C3' 1.586 5.785 1 O4'-C1'-C2' 112.56 5.873 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . 0.439 ' C8 ' " H1'" ' B' ' 83' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.334 -7.488 4 O5'-C5'-C4' 119.667 6.762 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.512 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 2 C4'--C3' 1.604 7.635 3 O4'-C1'-N19 116.577 10.971 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.603 7.544 2 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.207 0 C1'-O4'-C4' 114.248 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.547 -4.6 3 O5'-C5'-C4' 119.07 6.336 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.582 5.436 3 O4'-C4'-C3' 110.814 5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.59 9.892 1 O3'-P-O5' 94.628 -4.932 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.359 -4.719 4 O5'-C5'-C4' 121.533 8.095 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.712 0 O4'-C1'-N19 104.862 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.882 3 P-O3'-C3' 126.1 5.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.87 0 C1'-O4'-C4' 105.432 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.411 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.291 33.1 Cg_exo -42.56 -41.01 7.88 Favored 'Trans proline' 0 C--N 1.407 3.654 1 C-N-CA 126.456 4.771 . . . . 0.0 116.938 -177.003 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -59.8 -28.7 67.67 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 118.609 -2.557 . . . . 0.0 116.999 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -111.77 -28.83 7.93 Favored 'General case' 0 CA--C 1.582 2.185 0 C-N-CA 123.57 0.748 . . . . 0.0 110.58 -162.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.5 t -154.47 -157.54 0.77 Allowed 'General case' 0 C--O 1.257 1.475 0 C-N-CA 126.103 1.761 . . . . 0.0 114.91 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -50.97 142.74 11.41 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.199 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 7' ' ' THR . . . . . 0.447 HG22 ' N ' ' P' ' 8' ' ' THR . 60.5 m 101.1 146.68 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.167 1 C-N-CA 131.986 4.115 . . . . 0.0 110.54 -168.27 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 8' ' ' THR . . . . . 0.447 ' N ' HG22 ' P' ' 7' ' ' THR . 13.2 m -154.73 109.61 3.04 Favored 'General case' 0 N--CA 1.517 2.888 0 CA-C-O 114.757 -2.544 . . . . 0.0 106.426 170.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.43 149.85 41.48 Favored 'General case' 0 C--O 1.287 3.048 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 44.9 p -120.4 170.69 9.13 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 124.89 1.369 . . . . 0.0 110.163 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.632 ' HG ' HD21 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.281 39.0 m80 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.497 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 29' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.497 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.507 HD23 ' C ' ' P' ' 32' ' ' LEU . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.632 HD21 ' HG ' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -51.59 -50.22 60.59 Favored 'General case' 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.294 59.4 t30 -69.95 -39.16 76.2 Favored 'General case' 0 C--O 1.192 -1.971 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.462 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -60.96 -27.3 68.16 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 114.819 -2.515 . . . . 0.0 115.25 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' P' ' 54' ' ' ARG . 0.4 OUTLIER -69.78 -43.72 71.57 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 114.609 -2.615 . . . . 0.0 107.222 167.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.494 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 48.1 mmm-85 -64.85 -51.51 61.69 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 123.065 2.666 . . . . 0.0 111.075 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -44.18 72.85 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.227 1.376 . . . . 0.0 113.422 171.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -62.42 -50.76 70.21 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' P' ' 54' ' ' ARG . 0.4 OUTLIER -72.09 -29.38 64.05 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 119.443 -2.035 . . . . 0.0 112.125 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 34.3 mt -70.63 -47.16 66.06 Favored 'Isoleucine or valine' 0 C--O 1.276 2.471 0 C-N-CA 126.131 1.772 . . . . 0.0 106.552 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.8 -25.57 68.24 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 124.377 2.037 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -83.08 -21.36 33.74 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.176 -1.375 . . . . 0.0 109.027 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.24 -10.06 59.75 Favored 'General case' 0 C--O 1.183 -2.411 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -70.12 90.56 0.67 Allowed 'General case' 0 N--CA 1.532 3.661 0 O-C-N 124.105 0.878 . . . . 0.0 111.378 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -147.42 152.21 37.75 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 128.089 2.556 . . . . 0.0 113.984 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 tttm 64.8 -179.74 0.18 Allowed 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 130.96 3.704 . . . . 0.0 115.567 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.39 8.5 m-20 47.29 67.39 0.81 Allowed 'General case' 0 N--CA 1.517 2.907 0 CA-C-O 124.728 2.204 . . . . 0.0 113.665 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -151.51 -174.23 4.77 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 128.578 2.751 . . . . 0.0 108.284 -166.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 130.638 3.575 . . . . 0.0 112.596 -178.559 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.546 2 C4'-C3'-C2' 98.293 -4.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.289 3 O5'-C5'-C4' 119.178 6.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.449 -5.136 5 O4'-C1'-N19 112.395 5.743 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O5'--C5' 1.342 -6.123 2 O4'-C1'-N19 114.492 8.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.559 4.063 2 N19-C1'-C2' 121.717 4.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.581 5 O4'-C1'-N19 101.213 -8.234 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.671 7.755 1 C5'-C4'-O4' 119.327 6.205 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.709 2 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.196 4 O4'-C1'-N19 113.378 6.972 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.566 6.857 1 O5'-C5'-C4' 119.782 6.844 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.579 8.466 5 O4'-C1'-N19 112.994 6.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.117 2 C4'-C3'-C2' 97.774 -5.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.839 2 O4'-C1'-N19 114.504 8.38 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.775 1 N19-C1'-C2' 123.562 5.851 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.346 2 O4'-C1'-N19 113.256 6.82 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.556 5.629 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.494 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 2 C5'--C4' 1.561 6.307 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.573 7.8 5 O4'-C1'-C2' 112.622 5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.324 3 C3'-C2'-C1' 93.169 -6.808 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.564 4.65 2 O3'-P-O5' 89.891 -7.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 2.763 2 O4'-C1'-N19 97.162 -13.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.682 8.864 1 P-O3'-C3' 127.169 6.225 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.379 -6.089 1 N19-C1'-C2' 123.977 6.111 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.538 -5.777 2 O4'-C1'-N19 114.265 8.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.064 2 C5'-C4'-O4' 117.09 4.806 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.549 -4.868 2 C4'-C3'-C2' 107.931 4.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.501 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.22 -22.42 19.87 Favored 'Trans proline' 0 CA--C 1.486 -1.903 1 C-N-CA 125.46 4.106 . . . . 0.0 113.993 -168.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -54.88 -17.26 3.4 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 167.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -62.1 155.71 23.48 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 124.741 1.275 . . . . 0.0 108.82 -163.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -130.07 -177.59 4.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.321 -1.752 . . . . 0.0 109.55 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -138.48 141.29 39.43 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.354 -1.466 . . . . 0.0 107.29 -173.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -158.23 121.88 3.99 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -84.0 96.69 8.94 Favored 'General case' 0 N--CA 1.482 1.165 1 C-N-CA 131.76 4.024 . . . . 0.0 112.702 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -62.23 165.5 5.8 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 118.473 2.768 . . . . 0.0 118.473 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -135.69 153.92 51.44 Favored 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 127.201 2.2 . . . . 0.0 105.269 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' GLN . . . . . 0.416 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 20' ' ' HIS . . . . . 0.481 ' HB2' HD21 ' P' ' 35' ' ' LEU . 61.7 m80 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' P' ' 47' ' ' LYS . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' P' ' 43' ' ' THR 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.519 ' CA ' HD21 ' P' ' 32' ' ' LEU . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.681 ' HA ' HD12 ' P' ' 27' ' ' LEU . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -65.88 -51.36 59.44 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.254 3.2 p30 -63.79 -31.25 72.37 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 119.883 -0.727 . . . . 0.0 112.352 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -64.36 -51.29 64.08 Favored 'General case' 0 N--CA 1.526 3.357 0 O-C-N 118.484 -2.635 . . . . 0.0 104.955 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.418 HH11 ' HB2' ' P' ' 54' ' ' ARG . 0.0 OUTLIER -65.0 -44.76 88.17 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.137 -2.852 . . . . 0.0 108.901 -173.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 mmm-85 -53.77 -55.84 22.83 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 124.114 0.884 . . . . 0.0 111.958 171.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -49.81 -44.13 49.04 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -77.42 -47.42 19.82 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.196 -2.335 . . . . 0.0 107.832 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.287 0.2 OUTLIER -63.13 -40.36 97.35 Favored 'General case' 0 N--CA 1.412 -2.33 0 O-C-N 125.743 1.902 . . . . 0.0 111.892 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.41 -44.56 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.459 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.251 68.9 mt-30 -69.58 -23.29 63.52 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 116.664 -3.772 . . . . 0.0 111.916 173.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 62.4 m -66.65 -5.35 11.4 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 115.927 -1.987 . . . . 0.0 109.027 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.12 -20.74 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 124.191 3.178 . . . . 0.0 111.042 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -123.02 -8.88 8.27 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 129.031 2.932 . . . . 0.0 111.249 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 64' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' P' ' 65' ' ' LYS . 10.9 t-160 -141.44 176.86 8.53 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.038 2.352 . . . . 0.0 107.201 -175.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 65' ' ' LYS . . . . . 0.412 ' H ' ' CD2' ' P' ' 64' ' ' HIS . 21.9 ttpt -125.02 18.13 8.47 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 113.125 -1.852 . . . . 0.0 112.975 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.57 177.29 10.8 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 126.783 2.033 . . . . 0.0 112.471 175.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 45.48 63.6 1.72 Allowed 'General case' 0 N--CA 1.409 -2.482 0 CA-C-O 123.422 1.582 . . . . 0.0 114.8 -176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.584 2.273 0 CA-C-N 112.413 -2.176 . . . . 0.0 114.166 -167.248 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.377 -3.949 1 C5'-C4'-O4' 118.941 5.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.324 3 O4'-C4'-C3' 112.732 7.132 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.496 -3.17 2 O4'-C1'-C2' 99.93 -5.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.1 2 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.604 7.596 1 O5'-C5'-C4' 118.198 5.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.599 5.544 2 O4'-C1'-N19 102.912 -6.11 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.126 3 O4'-C1'-N19 113.871 7.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 4 P-O3'-C3' 126.716 5.847 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.415 1 O4'-C4'-C3' 111.372 5.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.941 3 O4'-C1'-N19 117.183 11.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.712 5 O4'-C1'-C2' 112.496 5.814 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.469 -4.862 0 O4'-C1'-N19 104.674 -3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.658 4 O4'-C1'-N19 116.865 11.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -2.876 5 C3'-C2'-C1' 113.621 7.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.429 2 P-O3'-C3' 125.09 4.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.254 2 O4'-C1'-N19 114.284 8.105 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.696 2 P-O3'-C3' 125.608 4.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 9.739 3 O4'-C1'-N19 115.901 10.127 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.753 5 O4'-C1'-N19 113.711 7.388 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.615 9.73 4 O4'-C1'-N19 114.793 8.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.553 5.207 2 O5'-C5'-C4' 121.044 7.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.937 2 O4'-C1'-N19 118.644 13.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.32 3 P-O3'-C3' 127.849 6.791 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.488 -3.962 3 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.571 7.466 3 P-O3'-C3' 129.828 8.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.468 3 O4'-C1'-N19 113.119 6.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' GLY . . . . . 0.514 ' HA3' H5'' ' B' ' 91' ' ' ' DG' . . . . . . . . 0 C--O 1.249 1.055 1 CA-C-O 113.336 -4.036 . . . . 0.0 112.866 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -85.42 0.18 8.72 Favored 'Trans proline' 0 C--O 1.261 1.661 1 C-N-CA 129.018 6.479 . . . . 0.0 119.786 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.28 -13.55 2.06 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 125.854 2.74 . . . . 0.0 113.246 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.19 157.77 7.89 Favored 'General case' 0 C--N 1.372 1.566 1 O-C-N 116.158 -4.089 . . . . 0.0 114.347 167.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.305 1.0 OUTLIER -148.02 172.46 14.21 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 126.579 1.952 . . . . 0.0 106.174 -166.727 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 51.06 172.06 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 127.052 3.311 . . . . 0.0 111.151 -176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.91 161.7 0.03 OUTLIER 'General case' 0 C--N 1.346 0.454 0 CA-C-N 111.36 -2.655 . . . . 0.0 116.8 170.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -142.03 114.63 8.46 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 126.643 1.977 . . . . 0.0 106.001 163.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.42 157.72 3.64 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.481 -1.387 . . . . 0.0 114.54 -170.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p -103.87 169.8 8.3 Favored 'General case' 0 N--CA 1.423 -1.816 0 C-N-CA 126.945 2.098 . . . . 0.0 114.952 167.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' GLN . . . . . 0.418 ' HA ' HD23 ' P' ' 39' ' ' LEU . 26.2 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.472 ' HG ' HD21 ' P' ' 39' ' ' LEU . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' P' ' 21' ' ' PHE . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' P' ' 18' ' ' GLU . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 26' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' P' ' 50' ' ' PHE 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.672 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.439 HD21 ' O ' ' P' ' 43' ' ' THR . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.472 HD21 ' HG ' ' P' ' 17' ' ' LEU 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.439 ' O ' HD21 ' P' ' 32' ' ' LEU . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 44' ' ' ALA . . . . . 0.481 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' P' ' 54' ' ' ARG . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -63.9 -49.33 73.11 Favored 'General case' 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.317 0.1 OUTLIER -78.85 -36.99 41.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 128.449 3.593 . . . . 0.0 110.319 -178.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -54.65 31.21 Favored 'General case' 0 CA--C 1.585 2.321 0 CA-C-O 115.282 -2.294 . . . . 0.0 113.006 168.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' P' ' 50' ' ' PHE . 4.7 mpt_? -56.2 -47.81 77.64 Favored 'General case' 0 CA--C 1.579 2.071 0 O-C-N 128.624 3.702 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.536 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -66.93 -54.17 24.7 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 111.704 -3.998 . . . . 0.0 105.362 -175.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ttm105 -53.41 -48.44 68.69 Favored 'General case' 0 CA--C 1.617 3.527 1 CA-C-N 127.889 4.859 . . . . 0.0 114.834 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -69.11 -32.55 72.04 Favored 'General case' 0 N--CA 1.525 3.302 0 CA-C-O 114.674 -2.584 . . . . 0.0 116.435 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 11.7 ptpt -70.09 -26.7 64.11 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 121.235 1.834 . . . . 0.0 115.218 167.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -51.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 C-N-CA 127.078 2.151 . . . . 0.0 107.212 165.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -62.41 -33.44 74.78 Favored 'General case' 0 C--N 1.391 2.393 0 C-N-CA 115.786 -2.366 . . . . 0.0 110.297 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 65.2 m -76.15 -30.73 58.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 114.976 -2.44 . . . . 0.0 111.623 -176.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.68 -36.61 84.4 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 129.314 3.046 . . . . 0.0 109.881 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -75.72 6.06 5.4 Favored 'General case' 0 C--N 1.379 1.864 0 O-C-N 116.816 -3.677 . . . . 0.0 113.947 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.358 7.9 m80 54.5 -2.39 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 1 C-N-CA 132.172 4.189 . . . . 0.0 112.852 -168.801 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -87.14 -1.32 57.8 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 125.728 1.892 . . . . 0.0 112.392 -165.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.25 24.2 t0 -125.42 41.0 3.61 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.357 1.036 . . . . 0.0 109.837 164.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.35 -40.92 0.06 Allowed 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.412 3.318 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 173.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.476 -4.154 2 O4'-C1'-N19 113.254 6.817 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.484 4 O5'-C5'-C4' 122.041 8.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.473 4.113 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.355 -5.863 2 O4'-C1'-C2' 101.378 -4.293 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.553 -4.529 2 O4'-C1'-N19 115.301 9.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.584 9.17 2 O4'-C1'-N19 103.057 -5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.36 3 O4'-C1'-N19 115.935 10.169 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.954 2 P-O3'-C3' 125.263 4.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.481 3.17 4 O4'-C1'-N19 118.43 13.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . 0.445 H2'' ' H6 ' ' A' ' 79' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.6 11.125 4 O5'-C5'-C4' 117.768 5.406 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . 0.445 ' H6 ' H2'' ' A' ' 78' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.566 6.888 3 O4'-C1'-N19 112.842 6.303 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.356 -5.763 2 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.558 5.835 2 O4'-C1'-C2' 100.98 -4.655 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.508 5.933 1 C1'-O4'-C4' 103.046 -4.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.441 3 C1'-O4'-C4' 101.061 -6.17 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.542 -5.101 1 O5'-C5'-C4' 118.224 5.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.406 " H4'" ' OP1' ' B' ' 86' ' ' ' DG' . . . . . . . . 2 P--O3' 1.557 -4.194 4 O4'-C1'-N19 112.162 5.453 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.406 ' OP1' " H4'" ' B' ' 85' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.551 4.997 3 O5'-C5'-C4' 118.513 5.938 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.44 -7.775 0 C5'-C4'-O4' 103.242 -3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.558 5.869 3 P-O5'-C5' 132.527 7.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.385 -3.572 3 O4'-C1'-N19 102.722 -6.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.761 1 C4'-C3'-C2' 99.058 -4.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.514 H5'' ' HA3' ' P' ' 1' ' ' GLY . . . . . . . . 1 O4'--C4' 1.397 -4.416 4 O5'-C5'-C4' 118.452 5.895 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.313 5 O4'-C1'-N19 113.279 6.849 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.311 4 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 8.227 1 C5'-C4'-C3' 105.663 -6.025 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -48.98 -29.15 14.82 Favored 'Trans proline' 0 N--CA 1.516 2.8 0 C-N-CA 122.17 1.913 . . . . 0.0 112.947 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -126.83 -18.28 4.74 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 126.988 2.115 . . . . 0.0 112.702 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' P' ' 4' ' ' ARG . 0.0 OUTLIER -93.16 157.3 16.35 Favored 'General case' 0 N--CA 1.507 2.424 1 C-N-CA 131.76 4.024 . . . . 0.0 118.163 -176.508 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -43.19 143.66 0.78 Allowed 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.192 3.397 . . . . 0.0 107.923 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -89.21 -8.55 53.34 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 -165.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 90.0 m -86.23 136.24 33.25 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.042 0.839 . . . . 0.0 111.852 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -136.27 123.26 21.46 Favored 'General case' 0 CA--C 1.549 0.933 1 C-N-CA 132.896 4.478 . . . . 0.0 112.823 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -52.11 150.19 4.64 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 128.267 2.627 . . . . 0.0 115.028 -171.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -99.87 168.61 9.78 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 123.008 2.64 . . . . 0.0 107.769 168.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.638 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.476 HD11 HG12 ' P' ' 46' ' ' VAL . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.451 ' HB2' HD22 ' P' ' 27' ' ' LEU . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.638 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.488 HD11 HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.476 HG12 HD11 ' P' ' 27' ' ' LEU . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' P' ' 27' ' ' LEU . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.92 -42.06 58.47 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.342 1.0 OUTLIER -67.23 -35.78 80.28 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 117.022 -1.871 . . . . 0.0 114.806 172.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -51.51 69.24 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 128.07 2.548 . . . . 0.0 114.666 175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.336 1.0 OUTLIER -66.41 -36.32 82.54 Favored 'General case' 0 C--N 1.381 1.936 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . 0.301 47.9 mmm-85 -66.54 -48.96 68.03 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 130.662 3.585 . . . . 0.0 111.441 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm105 -71.5 -50.79 28.02 Favored 'General case' 0 N--CA 1.523 3.185 0 CA-C-O 114.225 -2.797 . . . . 0.0 108.087 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -49.92 -54.67 18.27 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 126.981 2.675 . . . . 0.0 109.487 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -72.25 -36.32 69.04 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.71 -51.82 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 CA-C-O 124.319 2.009 . . . . 0.0 112.886 170.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -59.71 -29.08 67.87 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 118.331 -2.731 . . . . 0.0 117.511 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -70.73 -40.45 72.75 Favored 'General case' 0 N--CA 1.515 2.791 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.59 -25.12 60.2 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -77.65 -5.54 50.74 Favored 'General case' 0 N--CA 1.422 -1.842 0 O-C-N 117.045 -3.534 . . . . 0.0 114.273 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -145.13 67.21 1.24 Allowed 'General case' 0 C--O 1.299 3.704 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.342 35.8 tttm -44.71 -47.11 10.67 Favored 'General case' 1 N--CA 1.542 4.166 0 O-C-N 117.695 -3.128 . . . . 0.0 115.057 169.59 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -158.46 -17.38 0.07 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 119.968 -1.707 . . . . 0.0 113.274 165.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -144.29 142.9 30.73 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.265 1.882 0 CA-C-O 112.657 -3.544 . . . . 0.0 111.656 172.189 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.33 1 O4'-C1'-N19 101.598 -7.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.065 1 O5'-C5'-C4' 119.053 6.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.76 2 O4'-C1'-N19 116.802 11.252 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.364 -7.47 5 C4'-C3'-O3' 125.512 6.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.933 4 O4'-C1'-N19 125.478 22.098 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.585 9.207 3 O5'-C5'-C4' 119.205 6.432 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.359 -7.929 2 O4'-C4'-C3' 111.333 5.733 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.376 6 O5'-C5'-C4' 120.558 7.398 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . 0.478 ' H42' ' H1 ' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 O5'--C5' 1.344 -6.009 1 P-O3'-C3' 126.412 5.594 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.886 2 O4'-C4'-C3' 113.931 8.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.594 10.418 2 C5'-C4'-O4' 120.141 6.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.723 2 O5'-C5'-C4' 117.728 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.522 -7.065 3 P-O3'-C3' 126.121 5.351 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.173 2 O4'-C1'-N19 103.996 -4.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.531 -6.3 3 P-O3'-C3' 128.149 7.041 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.879 1 O5'-C5'-C4' 116.1 4.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.332 -6.779 3 C4'-C3'-C2' 97.993 -5.207 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.478 ' H1 ' ' H42' ' A' ' 77' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.56 6.174 2 N19-C1'-C2' 123.896 6.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.979 5 O4'-C1'-N19 112.824 6.28 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.189 2 P-O3'-C3' 127.67 6.642 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.323 -7.464 0 C5'-C4'-C3' 119.999 3.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . 0.452 " H4'" ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 3 P--O5' 1.657 6.402 4 P-O3'-C3' 129.149 7.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.413 1 P-O3'-C3' 126.567 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.578 6.047 1 O4'-C1'-N19 115.375 9.469 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.336 1 P-O3'-C3' 128.339 7.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.443 3 P-O3'-C3' 125.211 4.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.648 0 CA-C-O 117.464 -1.742 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.15 -27.43 55.92 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 C-N-CA 122.98 2.454 . . . . 0.0 117.762 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.437 ' O ' H5'' ' A' ' 76' ' ' ' DT' . 2.9 mmm180 -116.39 53.98 0.86 Allowed 'General case' 0 C--O 1.258 1.546 1 CA-C-O 129.381 4.42 . . . . 0.0 113.889 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -137.71 163.27 31.73 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 110.149 -3.205 . . . . 0.0 105.365 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 9.3 p -69.46 -178.61 1.44 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.261 164.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.254 24.0 ttm-85 -146.07 56.61 1.19 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 128.866 2.866 . . . . 0.0 104.731 163.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 7' ' ' THR . . . . . 0.602 HG21 ' HG2' ' P' ' 45' ' ' GLN . 25.0 m -141.54 131.23 24.12 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-O 125.572 2.606 . . . . 0.0 107.954 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -119.97 119.85 34.64 Favored 'General case' 0 CA--C 1.577 1.992 0 CA-C-N 108.63 -3.896 . . . . 0.0 105.534 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -72.05 132.75 44.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 111.037 -2.801 . . . . 0.0 107.833 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p -91.75 159.26 15.92 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 169.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.674 HD11 HG12 ' P' ' 46' ' ' VAL . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.424 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' P' ' 16' ' ' GLU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 45' ' ' GLN . . . . . 0.602 ' HG2' HG21 ' P' ' 7' ' ' THR . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.674 HG12 HD11 ' P' ' 27' ' ' LEU . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.404 ' HG2' HD12 ' P' ' 27' ' ' LEU . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 48' ' ' ILE . . . . . 0.79 HD13 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.429 ' O ' ' HD3' ' P' ' 54' ' ' ARG . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 51' ' ' LYS . . . . . 0.79 ' HE2' HD13 ' P' ' 48' ' ' ILE . 4.4 mtpt -47.73 -52.03 19.95 Favored 'General case' 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.253 1.2 p30 -64.14 -34.48 78.16 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 116.416 -3.927 . . . . 0.0 111.118 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.3 -53.47 36.21 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 124.096 3.135 . . . . 0.0 107.992 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' P' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -50.68 69.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.892 1.995 . . . . 0.0 108.878 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -51.31 -63.37 1.15 Allowed 'General case' 0 CA--C 1.47 -2.097 0 C-N-CA 126.62 1.968 . . . . 0.0 108.136 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 56' ' ' ARG . . . . . 0.505 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 24.3 ttm105 -50.86 -38.23 48.13 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.233 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -71.3 -51.25 25.44 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 128.279 2.632 . . . . 0.0 109.843 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -68.64 -32.02 71.57 Favored 'General case' 0 N--CA 1.536 3.86 0 O-C-N 118.169 -2.832 . . . . 0.0 115.895 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.09 -50.75 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 126.199 1.8 . . . . 0.0 109.477 174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' P' ' 63' ' ' GLN . 82.2 mm-40 -65.75 -35.36 80.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 116.299 -1.81 . . . . 0.0 112.09 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -54.6 -35.76 63.72 Favored 'General case' 1 N--CA 1.552 4.633 0 C-N-CA 127.403 2.281 . . . . 0.0 109.997 164.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.33 -33.54 75.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 122.696 2.498 . . . . 0.0 113.055 172.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' HA ' ' P' ' 60' ' ' GLN . 32.2 mm-40 -68.48 -32.0 71.68 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 121.853 0.835 . . . . 0.0 112.515 -171.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -36.1 -14.78 0.0 OUTLIER 'General case' 0 C--N 1.359 0.999 0 N-CA-C 120.213 3.412 . . . . 0.0 120.213 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -60.33 -14.86 20.7 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 119.248 -2.158 . . . . 0.0 116.513 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -149.71 154.44 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 118.532 -2.605 . . . . 0.0 109.077 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.56 119.3 8.05 Favored 'General case' 0 C--O 1.285 2.957 1 C-N-CA 132.343 4.257 . . . . 0.0 110.407 170.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.277 2.526 0 CA-C-N 112.205 -2.27 . . . . 0.0 116.791 177.135 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.47 -5.823 3 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . 0.421 ' H42' ' N6 ' ' B' ' 92' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.479 -3.878 1 O4'-C1'-N19 98.521 -11.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.616 3 O4'-C1'-C2' 96.343 -8.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.411 2 O4'-C1'-C2' 99.7 -5.818 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.596 10.565 2 P-O3'-C3' 126.43 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . 0.505 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 C3'--C2' 1.572 5.35 3 O4'-C1'-C2' 99.282 -6.198 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . 0.418 ' C2 ' ' C2 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 1 P--O3' 1.553 -4.5 6 O4'-C1'-C2' 98.033 -7.333 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . 0.437 H5'' ' O ' ' P' ' 3' ' ' ARG . . . . . . . . 1 C3'--C2' 1.457 -6.128 2 P-O3'-C3' 127.528 6.524 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.24 4 O4'-C4'-C3' 111.905 6.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.554 5.381 2 O3'-P-O5' 93.9 -5.316 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.548 -4.548 2 C3'-C2'-C1' 94.867 -5.595 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.012 1 C5'-C4'-O4' 117.212 4.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.239 2 O4'-C4'-C3' 109.879 4.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . 0.506 H2'' ' C8 ' ' B' ' 83' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.443 -8.47 5 O4'-C1'-C2' 115.888 8.898 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . 0.506 ' C8 ' H2'' ' B' ' 82' ' ' ' DC' . . . . . . . . 3 C3'--C2' 1.609 9.134 0 O5'-C5'-C4' 114.065 2.761 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.475 -4.286 4 O5'-C5'-C4' 123.12 9.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.261 2 O4'-C1'-N19 112.631 6.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.127 3 O4'-C1'-N19 118.471 13.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.585 6.729 3 O5'-C5'-C4' 120.387 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 7.193 2 C3'-C2'-C1' 95.791 -4.935 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.559 5.982 4 P-O3'-C3' 126.371 5.559 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.198 2 C5'-C4'-O4' 119.19 6.119 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.466 -3.955 1 O5'-C5'-C4' 119.35 6.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . 0.421 ' N6 ' ' H42' ' A' ' 70' ' ' ' DC' . . . . . . . . 1 P--O5' 1.547 -4.568 4 C3'-C2'-C1' 94.606 -5.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.472 4 O4'-C4'-C3' 112.437 6.837 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.187 4 O4'-C4'-C3' 113.812 8.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' GLY . . . . . 0.408 ' HA2' ' OP1' ' B' ' 91' ' ' ' DG' . . . . . . . . 0 CA--C 1.475 -2.469 0 CA-C-O 117.256 -1.858 . . . . 0.0 113.666 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -54.97 -42.27 70.74 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 O-C-N 126.892 3.048 . . . . 0.0 111.796 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.83 -22.49 3.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.465 2.353 . . . . 0.0 114.762 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.452 ' HD3' H5'' ' B' ' 91' ' ' ' DG' . 33.8 ttp85 -62.67 -15.14 50.88 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 171.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -116.75 -178.34 3.4 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 130.354 3.462 . . . . 0.0 115.455 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -132.14 -10.89 3.33 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 124.695 2.188 . . . . 0.0 115.967 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m -142.69 140.0 31.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 128.258 2.623 . . . . 0.0 113.456 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -108.39 127.72 54.13 Favored 'General case' 0 C--O 1.276 2.47 0 CA-C-O 123.023 1.392 . . . . 0.0 109.909 166.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -81.46 148.87 29.03 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 117.098 -3.502 . . . . 0.0 115.714 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p -121.51 163.43 18.85 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.628 ' CD2' HD11 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' P' ' 27' ' ' LEU . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 48' ' ' ILE . . . . . 0.429 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.502 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt -63.32 -37.16 86.18 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.397 58.4 m-80 -55.25 -44.47 75.58 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.062 -3.524 . . . . 0.0 116.442 167.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -61.35 -46.9 88.31 Favored 'General case' 0 N--CA 1.519 3.002 0 C-N-CA 126.657 1.983 . . . . 0.0 112.565 171.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -65.05 -46.63 80.46 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.11 -0.947 . . . . 0.0 109.368 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.492 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 38.6 mmm-85 -59.33 -52.95 63.45 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 128.034 3.333 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -53.91 -52.13 61.53 Favored 'General case' 0 CA--C 1.598 2.802 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -49.51 -57.51 6.92 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 125.055 1.472 . . . . 0.0 110.903 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 16.2 pttp -73.82 -25.37 60.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.589 2.07 . . . . 0.0 116.589 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 47.3 mt -69.79 -46.32 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.631 0 O-C-N 118.082 -2.886 . . . . 0.0 112.738 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.51 -41.27 93.38 Favored 'General case' 0 C--N 1.388 2.248 0 O-C-N 118.567 -2.583 . . . . 0.0 115.053 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -58.43 -28.33 65.16 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 111.599 -2.546 . . . . 0.0 111.729 170.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.27 -24.52 59.28 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 119.995 1.27 . . . . 0.0 112.725 -170.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -124.62 13.49 8.69 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -171.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -158.62 -26.54 0.08 Allowed 'General case' 0 CA--C 1.591 2.529 0 O-C-N 119.55 -1.969 . . . . 0.0 109.368 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp 57.57 172.08 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 -168.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 39.6 50.95 2.25 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-O 124.329 2.014 . . . . 0.0 116.195 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.77 -31.24 64.42 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 CA--C 1.441 -3.243 0 C-N-CA 129.118 2.967 . . . . 0.0 117.011 -173.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.445 -7.345 2 O4'-C1'-N19 113.826 7.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.545 -4.766 4 C4'-C3'-C2' 97.723 -5.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.555 5.49 3 O4'-C1'-N19 103.511 -5.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.16 2 O4'-C1'-N19 115.963 10.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.442 -8.59 4 C4'-C3'-C2' 94.107 -9.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.374 1 O3'-P-O5' 96.101 -4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 2 O5'-C5'-C4' 122.341 8.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . 0.407 ' C4 ' ' N4 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 6 O4'--C4' 1.344 -9.3 5 O4'-C1'-N19 113.429 7.036 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . 0.407 ' N4 ' ' C4 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 O4'--C1' 1.348 -5.552 1 O5'-C5'-C4' 116.419 4.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.565 4.737 3 O4'-C1'-N19 97.339 -13.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.518 7.551 4 O4'-C1'-N19 102.311 -6.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.445 -5.456 3 C5'-C4'-O4' 99.685 -6.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.653 6.013 1 O4'-C1'-N19 113.384 6.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.601 7.276 1 C4'-C3'-O3' 100.955 -4.248 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.491 4.593 2 O4'-C1'-N19 111.474 4.592 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.615 9.709 3 O4'-C4'-C3' 111.453 5.853 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.785 1 O4'-C1'-N19 114.425 8.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.493 " H1'" " O4'" ' B' ' 87' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.011 1 O5'-C5'-C4' 119.554 6.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . 0.493 " O4'" " H1'" ' B' ' 86' ' ' ' DG' . . . . . . . . 2 P--O5' 1.525 -6.812 3 O4'-C1'-N19 113.851 7.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 6.677 3 O4'-C1'-N19 113.379 6.974 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.702 1 N19-C1'-C2' 122.65 5.281 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.371 3 O4'-C1'-N19 119.313 14.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.452 H5'' ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 2 O4'--C4' 1.338 -9.786 3 O5'-C5'-C4' 118.046 5.604 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.583 5.455 1 O5'-C5'-C4' 121.211 7.865 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.587 4.715 3 O4'-C1'-N19 114.947 8.934 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.627 14.5 5 C1'-O4'-C4' 101.663 -5.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 2.453 0 CA-C-O 117.192 -1.893 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -79.88 63.87 8.79 Favored 'Trans proline' 0 N--CA 1.529 3.574 0 C-N-CA 124.966 3.777 . . . . 0.0 113.021 -174.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -137.97 -31.03 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 128.904 2.882 . . . . 0.0 114.396 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 176.93 2.03 Favored 'General case' 0 N--CA 1.528 3.466 1 C-N-CA 133.339 4.656 . . . . 0.0 113.981 -171.541 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -147.07 152.17 38.09 Favored 'General case' 0 C--N 1.405 2.998 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.151 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.61 160.96 21.29 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -113.03 152.03 29.96 Favored 'General case' 0 C--O 1.186 -2.247 0 O-C-N 127.728 3.143 . . . . 0.0 108.541 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -128.48 90.56 3.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.701 1.2 . . . . 0.0 112.661 166.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -59.16 152.84 19.52 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p -104.76 170.66 7.75 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' P' ' 39' ' ' LEU . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' P' ' 53' ' ' ARG . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' P' ' 47' ' ' LYS . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.498 HD12 HD11 ' P' ' 27' ' ' LEU . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 38' ' ' LYS . . . . . 0.497 ' HZ2' ' HB2' ' P' ' 38' ' ' LYS . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.603 HD21 ' HG ' ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' P' ' 41' ' ' LEU . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' P' ' 27' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -58.88 -47.77 83.77 Favored 'General case' 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -61.95 -46.0 91.23 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 116.893 -1.527 . . . . 0.0 110.48 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 53' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' P' ' 18' ' ' GLU . 56.3 ttt85 -52.23 -56.1 16.88 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 125.613 1.821 . . . . 0.0 112.09 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.465 ' O ' ' HE2' ' P' ' 58' ' ' LYS . 1.0 OUTLIER -73.15 -33.44 65.48 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-N 120.025 1.284 . . . . 0.0 113.013 -172.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -68.07 -42.59 80.2 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.044 -2.407 . . . . 0.0 112.2 163.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -68.99 -42.46 76.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 125.027 3.558 . . . . 0.0 112.035 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.7 -45.05 86.2 Favored 'General case' 0 N--CA 1.416 -2.155 0 C-N-CA 127.348 2.259 . . . . 0.0 111.029 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' P' ' 54' ' ' ARG . 11.6 ptpt -74.61 -37.36 62.87 Favored 'General case' 1 N--CA 1.546 4.347 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -171.509 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mt -59.49 -46.48 92.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.066 0 O-C-N 125.238 1.587 . . . . 0.0 108.573 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -72.39 -33.92 67.53 Favored 'General case' 0 C--O 1.287 3.05 0 C-N-CA 128.358 2.663 . . . . 0.0 110.855 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -61.48 -39.95 92.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 130.44 3.496 . . . . 0.0 108.888 174.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.19 -1.77 11.18 Favored 'General case' 0 CA--C 1.607 3.141 0 C-N-CA 126.691 1.996 . . . . 0.0 110.706 170.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -119.89 1.27 10.96 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 122.405 2.366 . . . . 0.0 114.265 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.253 13.3 p-80 -152.07 8.76 0.49 Allowed 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 118.846 2.906 . . . . 0.0 118.846 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -145.91 4.72 0.99 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.61 32.1 0.23 Allowed 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 126.221 1.808 . . . . 0.0 112.575 -166.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -159.67 4.68 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 117.437 -3.289 . . . . 0.0 114.278 -167.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.535 3.815 0 CA-C-N 120.344 1.429 . . . . 0.0 110.158 -173.86 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.149 2 O5'-C5'-C4' 119.176 6.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.536 -5.667 1 O5'-C5'-C4' 120.114 7.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 7.545 2 O4'-C4'-C3' 110.602 5.002 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.547 5 O4'-C4'-C3' 114.103 8.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.374 -6.528 4 P-O3'-C3' 127.375 6.396 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.701 4 C5'-C4'-O4' 118.509 5.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.478 4.474 2 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.698 1 N19-C1'-C2' 120.845 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.945 2 P-O3'-C3' 129.58 8.233 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 7.022 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.716 1 O5'-C5'-C4' 116.974 4.839 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.435 3 C4'-C3'-C2' 91.1 -12.1 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.452 -4.964 4 O4'-C1'-N19 117.865 12.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . 0.422 H2'' ' C8 ' ' B' ' 83' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.584 9.139 2 C1'-O4'-C4' 103.051 -4.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . 0.422 ' C8 ' H2'' ' B' ' 82' ' ' ' DC' . . . . . . . . 2 C4'--C3' 1.597 6.899 5 C4'-C3'-C2' 95.382 -7.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.043 2 O4'-C1'-N19 113.911 7.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.479 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.358 -5.62 1 O4'-C1'-N19 112.851 6.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.288 2 O4'-C1'-N19 111.765 4.956 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.581 4.3 4 P-O3'-C3' 125.746 5.039 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.503 -8.974 1 P-O3'-C3' 125.179 4.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.578 8.377 4 O4'-C1'-N19 114.531 8.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 6.976 2 O4'-C1'-N19 117.544 12.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . 0.408 " H4'" ' OP1' ' B' ' 93' ' ' ' DG' . . . . . . . . 3 O4'--C4' 1.393 -4.862 2 P-O3'-C3' 126.117 5.348 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . 0.408 ' OP1' " H4'" ' B' ' 92' ' ' ' DA' . . . . . . . . 2 C5'--C4' 1.593 10.261 0 P-O3'-C3' 124.256 3.797 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.811 2 O4'-C1'-C2' 99.776 -5.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' P' P ' 1' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' P' ' 4' ' ' ARG . . . . . . . . 0 CA--C 1.544 1.905 0 N-CA-C 108.636 -1.785 . . . . 0.0 108.636 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.5 -10.71 9.46 Favored 'Trans proline' 0 C--O 1.195 -1.629 1 C-N-CA 127.431 5.42 . . . . 0.0 113.514 169.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.284 0.0 OUTLIER -137.4 37.85 2.48 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.096 168.302 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.484 ' HB2' ' HA3' ' P' ' 1' ' ' GLY . 0.9 OUTLIER -150.91 3.65 0.46 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -176.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.288 41.1 p -115.81 88.31 2.86 Favored 'General case' 0 C--O 1.182 -2.495 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -145.41 157.4 44.03 Favored 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.144 2.578 . . . . 0.0 109.768 167.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 89.4 m -55.33 154.84 5.63 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -169.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -109.6 120.1 41.44 Favored 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 125.098 1.359 . . . . 0.0 107.961 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.18 178.37 0.07 Allowed 'General case' 0 C--O 1.266 1.972 0 CA-C-O 123.534 1.635 . . . . 0.0 110.735 -171.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -116.8 161.64 18.96 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 129.718 3.207 . . . . 0.0 113.391 164.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.598 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.731 HD11 HG12 ' P' ' 46' ' ' VAL . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.598 HD11 HD21 ' P' ' 17' ' ' LEU . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' P' ' 41' ' ' LEU . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.731 HG12 HD11 ' P' ' 27' ' ' LEU . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' P' ' 27' ' ' LEU . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 51' ' ' LYS . . . . . 0.458 ' HD3' ' C8 ' ' B' ' 85' ' ' ' DG' . 0.7 OUTLIER -52.55 -58.72 5.86 Favored 'General case' 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -66.53 -45.34 79.78 Favored 'General case' 0 CA--C 1.601 2.932 0 CA-C-N 122.783 2.538 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -71.05 -38.01 72.51 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.227 -170.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.81 91.23 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 125.609 1.563 . . . . 0.0 111.963 166.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.619 HH11 ' HG3' ' P' ' 55' ' ' ARG . 24.3 mmm-85 -52.22 -40.75 62.01 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 127.34 2.256 . . . . 0.0 109.11 170.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.73 -44.57 95.88 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.63 -54.06 47.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 127.843 3.214 . . . . 0.0 113.521 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.267 34.7 pttt -69.72 -24.2 63.52 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.68 -47.15 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.583 0 CA-C-O 116.07 -1.919 . . . . 0.0 113.469 168.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.82 -44.59 82.17 Favored 'General case' 0 C--O 1.285 2.921 0 CA-C-N 119.826 1.194 . . . . 0.0 108.546 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 31.4 m -62.85 -26.77 68.92 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.52 -39.82 62.13 Favored 'General case' 0 CA--C 1.59 2.489 0 CA-C-O 118.345 -0.836 . . . . 0.0 113.228 167.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.43 13.74 0.06 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.293 7.5 m-70 60.16 22.6 11.9 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -70.43 -13.5 62.16 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 117.637 -3.164 . . . . 0.0 116.71 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -118.86 -0.74 11.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.757 1.286 . . . . 0.0 114.198 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.0 -45.97 89.34 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.185 -2.332 0 C-N-CA 128.165 2.586 . . . . 0.0 113.943 -171.379 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.949 0 O5'-C5'-C4' 114.567 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.795 2 O4'-C1'-C2' 97.955 -7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.581 8.768 1 O5'-C5'-C4' 117.8 5.429 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.385 -5.53 2 O4'-C1'-N19 111.992 5.239 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.354 3 O4'-C4'-C3' 113.58 7.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.51 6.078 3 O4'-C1'-N19 101.99 -7.263 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.587 9.552 4 P-O3'-C3' 127.028 6.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.56 6.065 2 O4'-C1'-N19 112.597 5.997 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.519 -7.396 4 O4'-C1'-C2' 97.45 -7.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.563 4.536 1 O5'-C5'-C4' 119.138 6.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.324 1 C5'-C4'-O4' 116.288 4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.679 8.636 1 N19-C1'-C2' 121.129 4.331 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.48 -4.785 1 O4'-C1'-N19 116.849 11.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.221 3 C1'-O4'-C4' 116.39 4.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.462 -5.593 4 OP1-P-OP2 111.419 -5.454 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.573 7.777 3 O3'-P-O5' 91.408 -6.627 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.458 ' C8 ' ' HD3' ' P' ' 51' ' ' LYS . . . . . . . . 2 C3'--C2' 1.591 7.311 3 P-O3'-C3' 128.606 7.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.662 6.917 1 O5'-C5'-C4' 118.627 6.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.789 2 O5'-C5'-C4' 118.417 5.869 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.385 -5.542 6 O4'-C1'-N19 115.496 9.62 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.656 6.273 3 O5'-C5'-C4' 117.85 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 9.381 2 O4'-C1'-N19 118.512 13.391 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.457 -6.129 4 C4'-C3'-C2' 96.757 -6.443 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.68 6.096 2 O5'-C5'-C4' 118.58 5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.61 12.429 4 O4'-C1'-N19 118.783 13.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.468 2 O4'-C1'-N19 114.106 7.883 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.064 1 CA-C-O 112.604 -4.442 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.23 -26.31 0.85 Allowed 'Trans proline' 0 CA--C 1.482 -2.106 1 CA-C-N 125.169 4.485 . . . . 0.0 111.235 -172.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.61 70.1 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.372 1.896 . . . . 0.0 115.02 -174.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.401 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 0.0 OUTLIER -44.59 137.59 3.74 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 122.246 2.294 . . . . 0.0 114.724 177.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.317 0.6 OUTLIER -59.92 -25.09 64.87 Favored 'General case' 0 N--CA 1.532 3.628 0 C-N-CA 126.801 2.04 . . . . 0.0 115.126 -162.574 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.6 -71.77 0.0 OUTLIER 'General case' 0 C--O 1.275 2.402 0 C-N-CA 127.724 2.409 . . . . 0.0 115.074 -167.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m 28.17 111.0 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -81.44 109.86 16.31 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 127.417 2.287 . . . . 0.0 110.715 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -74.33 136.01 42.54 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p -111.45 162.4 15.12 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' P' ' 49' ' ' TRP . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' P' ' 27' ' ' LEU . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.421 HD12 HD13 ' P' ' 39' ' ' LEU . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.481 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.681 ' CG ' HD13 ' P' ' 17' ' ' LEU . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -64.97 -47.63 76.91 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -31.37 69.23 Favored 'General case' 0 N--CA 1.412 -2.366 0 CA-C-O 114.664 -2.589 . . . . 0.0 115.266 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -56.08 -54.0 50.27 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -56.84 16.61 Favored 'General case' 0 N--CA 1.527 3.421 0 O-C-N 121.158 -0.964 . . . . 0.0 111.201 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -50.81 -52.56 40.01 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.916 2.086 . . . . 0.0 111.63 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -60.37 -44.56 95.5 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 119.093 2.997 . . . . 0.0 119.093 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.92 -49.39 77.66 Favored 'General case' 0 C--O 1.202 -1.416 0 O-C-N 127.317 2.886 . . . . 0.0 109.284 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.318 7.8 ptpt -58.66 -39.91 81.98 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 117.941 -2.974 . . . . 0.0 113.602 171.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 59' ' ' ILE . . . . . 0.404 HG21 HD13 ' P' ' 59' ' ' ILE . 67.9 mt -74.6 -47.14 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 CA-C-O 123.44 1.591 . . . . 0.0 114.415 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.265 60.8 mm-40 -64.69 -38.74 92.02 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 123.897 1.808 . . . . 0.0 112.652 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 26.7 m -60.56 -12.69 10.68 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.08 -3.513 . . . . 0.0 109.284 168.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -109.67 1.38 19.49 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.796 1.634 . . . . 0.0 110.197 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.319 4.3 pt20 -146.68 -10.06 0.47 Allowed 'General case' 0 C--O 1.253 1.254 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -173.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -68.98 156.48 38.52 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 126.389 2.995 . . . . 0.0 111.59 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -131.11 163.52 27.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 116.901 -3.625 . . . . 0.0 110.67 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 44.19 38.28 2.3 Favored 'General case' 0 N--CA 1.53 3.529 0 C-N-CA 128.992 2.917 . . . . 0.0 114.989 172.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -55.18 130.37 41.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 120.769 1.622 . . . . 0.0 112.836 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.275 2.439 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 166.035 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.46 -5.802 0 O4'-C1'-N19 110.498 3.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . 0.49 ' H42' ' H1 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 2 C3'--C2' 1.572 5.36 2 O4'-C1'-N19 101.791 -7.511 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.472 -4.606 1 O4'-C1'-N19 114.891 8.863 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.96 0 O4'-C1'-N19 109.886 2.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.944 2 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.35 0 O5'-C5'-C4' 115.05 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.401 2 C3'-C2'-C1' 108.435 4.096 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.573 5.48 2 O5'-C5'-C4' 120.533 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.622 9.396 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.62 0 N19-C1'-C2' 120.459 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.662 4.584 2 P-O3'-C3' 125.874 5.145 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.6 4 P-O3'-C3' 127.613 6.594 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.559 -3.377 1 O4'-C1'-C2' 100.561 -5.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.379 2 N19-C1'-C2' 120.991 4.245 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.592 10.116 5 C4'-C3'-C2' 96.953 -6.247 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.789 6 O4'-C1'-N19 113.171 6.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.597 10.773 3 O4'-C1'-N19 119.214 14.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.468 -4.967 1 O4'-C1'-C2' 111.546 4.951 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.173 2 P-O3'-C3' 129.909 8.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.478 2 C5'-C4'-O4' 120.294 6.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.596 6.814 2 C4'-C3'-C2' 97.444 -5.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.866 0 O5'-C5'-C4' 115.723 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.401 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 1 O4'--C4' 1.369 -7.023 2 C3'-C2'-C1' 94.372 -5.949 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.576 8.066 3 O4'-C1'-N19 113.779 7.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . 0.49 ' H1 ' ' H42' ' A' ' 70' ' ' ' DC' . . . . . . . . 3 O4'--C4' 1.385 -5.509 5 O5'-C5'-C4' 120.781 7.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.572 5.394 2 O4'-C4'-C3' 110.261 4.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.476 -2.365 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.266 13.1 Cg_endo -61.32 -9.77 13.86 Favored 'Trans proline' 0 N--CA 1.489 1.243 1 C-N-CA 125.901 4.401 . . . . 0.0 114.168 -172.75 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -62.82 -21.88 66.23 Favored 'General case' 0 N--CA 1.526 3.349 0 O-C-N 118.097 -2.877 . . . . 0.0 116.566 162.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 170.28 0.22 Allowed 'General case' 0 CA--C 1.604 3.049 0 C-N-CA 125.6 1.56 . . . . 0.0 114.386 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -162.8 168.64 21.12 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.731 2.813 . . . . 0.0 113.277 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -140.11 -171.43 3.18 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 126.793 2.558 . . . . 0.0 114.095 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -146.8 130.92 17.34 Favored 'General case' 0 C--O 1.266 1.938 0 C-N-CA 129.998 3.319 . . . . 0.0 111.943 -164.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -83.3 117.87 23.28 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 124.846 1.341 . . . . 0.0 112.359 165.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.44 156.41 18.68 Favored 'General case' 0 C--O 1.285 2.972 0 O-C-N 117.112 -3.492 . . . . 0.0 115.616 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -134.1 167.42 20.69 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 13' ' ' GLN . . . . . 0.486 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 32.9 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.476 HD22 ' H ' ' P' ' 27' ' ' LEU . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.504 HD21 ' O ' ' P' ' 43' ' ' THR 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.504 ' O ' HD21 ' P' ' 32' ' ' LEU . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' P' ' 32' ' ' LEU . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' P' ' 27' ' ' LEU . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -62.76 -55.44 26.56 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.78 -32.96 74.59 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 114.094 -3.042 . . . . 0.0 110.763 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -50.41 -52.9 33.51 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 118.144 -2.848 . . . . 0.0 111.933 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 54' ' ' ARG . . . . . 0.465 ' HD2' ' OP2' ' B' ' 85' ' ' ' DG' . 33.1 mtt180 -68.34 -47.65 66.94 Favored 'General case' 0 C--O 1.197 -1.668 0 O-C-N 126.718 2.511 . . . . 0.0 115.426 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -54.32 -52.25 62.13 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.093 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 ttp-105 -47.16 -57.64 4.91 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 131.454 3.902 . . . . 0.0 113.295 166.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -55.47 -55.31 33.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.758 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.261 1.686 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.3 mt -57.57 -43.67 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 124.02 1.867 . . . . 0.0 112.06 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.67 -35.23 72.24 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-N 112.571 -2.104 . . . . 0.0 114.21 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 33.8 m -70.99 -20.84 62.38 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 125.106 1.504 . . . . 0.0 113.45 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 20.61 3.79 Favored 'General case' 0 CA--C 1.597 2.763 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -127.58 172.72 10.49 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 127.867 2.467 . . . . 0.0 109.267 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.44 157.41 11.28 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 128.101 2.56 . . . . 0.0 109.334 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -137.45 52.69 1.89 Allowed 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 126.153 1.781 . . . . 0.0 110.201 -171.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -138.11 2.78 2.36 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 127.03 2.132 . . . . 0.0 112.207 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -130.67 -6.9 4.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 116.523 -3.861 . . . . 0.0 114.546 -166.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 130.461 3.504 . . . . 0.0 109.73 -179.164 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.145 3 O4'-C4'-C3' 111.321 5.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.568 4.984 5 P-O3'-C3' 128.713 7.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.591 6.264 2 C4'-C3'-C2' 97.288 -5.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.554 5.435 4 O4'-C4'-C3' 111.14 5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.66 6.691 3 C4'-C3'-C2' 97.986 -5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.536 -5.702 2 O3'-P-O5' 95.517 -4.465 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . 0.407 " H2'" ' H71' ' A' ' 76' ' ' ' DT' . . . . . . . . 3 O4'--C4' 1.368 -7.086 3 O5'-C5'-C4' 117.831 5.45 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . 0.407 ' H71' " H2'" ' A' ' 75' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.546 4.376 4 O4'-C1'-N19 116.894 11.368 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.448 -6.961 2 O5'-C5'-C4' 118.026 5.59 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 3 C5'-C4'-O4' 117.708 5.193 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.433 3 O4'-C1'-N19 115.289 9.361 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.465 -5.27 3 O4'-C4'-C3' 111.275 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.574 7.922 2 O5'-C5'-C4' 118.56 5.971 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.603 11.527 2 C5'-C4'-O4' 118.192 5.495 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.584 9.083 4 C5'-C4'-O4' 118.574 5.734 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.07 0 O4'-C1'-N19 104.658 -3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.465 ' OP2' ' HD2' ' P' ' 54' ' ' ARG . . . . . . . . 2 P--O3' 1.536 -5.885 0 C5'-C4'-C3' 109.15 -3.7 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.181 2 N19-C1'-C2' 122.406 5.129 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.593 2 O4'-C1'-N19 114.149 7.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.533 3 O3'-P-O5' 93.045 -5.766 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.143 3 O4'-C4'-C3' 112.34 6.74 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.594 7.558 6 C4'-C3'-C2' 96.538 -6.662 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.314 -7.854 4 O5'-C5'-C4' 120.551 7.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.608 8.039 3 C4'-C3'-O3' 97.465 -5.834 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 6 O4'--C4' 1.343 -9.404 3 O4'-C1'-N19 113.997 7.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.577 5.86 2 P-O3'-C3' 126.943 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' P' P ' 1' ' ' GLY . . . . . 0.498 ' HA2' ' N3 ' ' B' ' 90' ' ' ' DA' . . . . . . . . 1 CA--C 1.608 5.901 1 CA-C-O 108.795 -6.558 . . . . 0.0 111.107 . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.25 72.3 Cg_exo -38.51 -60.72 0.44 Allowed 'Trans proline' 0 C--O 1.178 -2.512 2 N-CA-C 125.018 4.969 . . . . 0.0 125.018 -165.901 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -57.15 -26.01 59.84 Favored 'General case' 0 CA--C 1.473 -2.009 0 O-C-N 119.827 -1.796 . . . . 0.0 113.51 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' P' ' 4' ' ' ARG . 0.0 OUTLIER -45.09 -42.09 8.41 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -169.045 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -44.66 164.0 0.02 OUTLIER 'General case' 0 C--O 1.189 -2.093 0 O-C-N 118.681 -2.512 . . . . 0.0 113.91 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -70.33 -15.23 62.85 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.71 132.29 9.41 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 124.947 1.299 . . . . 0.0 112.479 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -86.6 124.25 32.68 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.817 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -59.15 161.19 5.49 Favored 'General case' 0 N--CA 1.516 2.827 0 CA-C-O 123.119 1.437 . . . . 0.0 114.308 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p -120.06 166.2 13.7 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 128.902 2.881 . . . . 0.0 111.304 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.527 HD21 HD11 ' P' ' 39' ' ' LEU . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.441 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 29' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' P' ' 47' ' ' LYS . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 34' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' P' ' 39' ' ' LEU . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.748 HD13 HD12 ' P' ' 41' ' ' LEU 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.748 HD12 HD13 ' P' ' 39' ' ' LEU . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' P' ' 32' ' ' LEU . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -49.54 -51.22 38.14 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.86 -49.33 73.19 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 129.551 3.14 . . . . 0.0 113.284 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -52.22 37.6 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.832 2.105 . . . . 0.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -46.52 88.16 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 119.898 -1.751 . . . . 0.0 109.603 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.511 ' HD3' ' OP2' ' B' ' 86' ' ' ' DG' . 0.7 OUTLIER -48.87 -51.81 27.72 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 123.227 1.489 . . . . 0.0 112.587 172.075 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ttm105 -62.89 -38.91 92.77 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.387 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -63.79 -63.02 1.28 Allowed 'General case' 0 N--CA 1.399 -2.996 0 CA-C-O 122.216 1.008 . . . . 0.0 111.243 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.69 -33.34 55.07 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 118.358 -2.714 . . . . 0.0 109.473 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.53 -45.18 82.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 O-C-N 117.916 -2.99 . . . . 0.0 110.331 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.08 -38.57 89.32 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 126.217 2.198 . . . . 0.0 114.06 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -60.99 -33.91 73.96 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.847 -2.408 . . . . 0.0 110.401 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.02 -45.2 59.14 Favored 'General case' 0 C--O 1.188 -2.138 0 CA-C-N 122.508 2.413 . . . . 0.0 110.22 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.9 4.6 1.11 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 169.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.328 1.8 m-70 54.28 50.05 17.21 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 127.288 2.235 . . . . 0.0 112.65 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.7 165.96 12.25 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 127.973 2.509 . . . . 0.0 109.462 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.6 172.66 6.98 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 123.171 1.462 . . . . 0.0 114.038 171.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -140.64 -7.43 1.12 Allowed 'General case' 0 CA--C 1.561 1.394 0 O-C-N 118.651 -2.53 . . . . 0.0 113.012 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.254 1.335 0 CA-C-N 124.515 3.325 . . . . 0.0 111.737 178.315 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.378 -3.871 2 O4'-C1'-N19 104.305 -4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.549 -4.41 3 O4'-C1'-C2' 114.844 7.949 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.729 2 O4'-C1'-N19 118.357 13.197 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.593 7.524 2 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.495 -9.755 2 O4'-C1'-N19 117.385 11.981 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.689 0 O5'-C5'-C4' 115.72 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 3 O4'-C1'-N19 100.863 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.757 3 O4'-C1'-N19 112.588 5.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.31 5 C3'-C2'-C1' 94.237 -6.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.598 7.961 3 O4'-C1'-C2' 115.49 8.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.643 4.975 4 P-O3'-C3' 126.344 5.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.467 -5.112 6 O4'-C4'-C3' 113.752 8.152 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -7.005 2 O5'-C5'-C4' 118.257 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 10.153 3 O4'-C1'-N19 102.359 -6.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.605 7.688 4 C4'-C3'-C2' 95.973 -7.227 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.599 10.941 3 O4'-C1'-N19 113.989 7.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.485 " H1'" ' C8 ' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 P--O5' 1.635 4.167 0 C1'-O4'-C4' 105.345 -3.111 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.511 ' OP2' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 0 O4'--C4' 1.477 2.853 2 O4'-C1'-N19 116.224 10.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.596 10.68 1 O4'-C4'-C3' 110.018 4.418 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.141 2 O4'-C4'-C3' 112.066 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.967 2 O4'-C1'-N19 113.422 7.028 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . 0.498 ' N3 ' ' HA2' ' P' ' 1' ' ' GLY . . . . . . . . 1 C3'--C2' 1.466 -5.167 1 P-O3'-C3' 125.527 4.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.089 3 C5'-C4'-C3' 122.47 5.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.345 -5.929 3 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.494 5.665 1 O4'-C1'-C2' 97.961 -7.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.515 -7.835 2 P-O3'-C3' 126.063 5.302 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.138 0 CA-C-O 118.387 -1.229 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -73.57 -14.08 24.82 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.134 1.89 . . . . 0.0 114.838 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.413 0.0 OUTLIER -109.87 -5.89 15.39 Favored 'General case' 0 C--N 1.366 1.297 0 N-CA-C 119.155 3.02 . . . . 0.0 119.155 163.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 146.65 9.43 Favored 'General case' 0 N--CA 1.534 3.746 0 CA-C-N 120.176 1.353 . . . . 0.0 109.848 168.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -170.49 -155.07 0.11 Allowed 'General case' 0 C--O 1.265 1.917 0 O-C-N 125.208 1.568 . . . . 0.0 110.995 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.68 165.03 17.93 Favored 'General case' 0 C--N 1.364 1.219 1 O-C-N 116.007 -4.183 . . . . 0.0 116.065 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 55.0 m -123.94 150.04 45.22 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 126.301 2.953 . . . . 0.0 105.745 163.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -124.86 86.59 2.58 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 116.49 -3.881 . . . . 0.0 108.101 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -71.86 161.9 30.26 Favored 'General case' 0 N--CA 1.402 -2.871 0 CA-C-N 112.322 -2.217 . . . . 0.0 113.975 -167.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p -100.26 155.48 17.75 Favored 'General case' 0 C--N 1.395 2.544 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 13' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.807 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' P' ' 22' ' ' LEU . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 20' ' ' HIS . . . . . 0.559 ' HB2' HD11 ' P' ' 35' ' ' LEU . 42.6 m80 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' P' ' 18' ' ' GLU . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' P' ' 50' ' ' PHE . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.447 ' CD1' ' HG ' ' P' ' 27' ' ' LEU . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' P' ' 41' ' ' LEU . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.409 ' HB ' HD12 ' P' ' 32' ' ' LEU . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' P' ' 27' ' ' LEU . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HD3' ' C8 ' ' B' ' 85' ' ' ' DG' . 0.6 OUTLIER -57.88 -53.5 57.55 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.266 10.9 p30 -66.63 -43.37 84.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 121.516 1.962 . . . . 0.0 111.24 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.7 -54.82 37.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 117.268 -1.349 . . . . 0.0 109.208 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.31 90.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 121.696 2.043 . . . . 0.0 109.057 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' P' ' 55' ' ' ARG . 9.8 tpt180 -62.73 -50.99 68.93 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-O 126.486 3.041 . . . . 0.0 115.125 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -57.57 -46.56 83.81 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 112.887 -1.96 . . . . 0.0 114.124 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -65.05 -45.69 84.32 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -62.02 -47.25 85.59 Favored 'General case' 0 C--O 1.191 -1.985 0 C-N-CA 124.455 1.102 . . . . 0.0 111.079 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mt -57.68 -59.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 117.548 -3.22 . . . . 0.0 114.565 173.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -46.07 -49.68 16.09 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 130.251 3.42 . . . . 0.0 113.684 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -69.6 -5.45 24.61 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 174.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -96.64 -1.76 46.12 Favored 'General case' 0 C--O 1.251 1.165 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 166.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -118.88 -37.65 3.21 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -79.18 -4.88 52.63 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 128.378 3.942 . . . . 0.0 120.392 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm 71.52 -175.14 0.18 Allowed 'General case' 0 N--CA 1.48 1.075 0 O-C-N 117.231 -3.418 . . . . 0.0 114.635 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.332 1.2 m-20 40.91 17.27 0.0 OUTLIER 'General case' 0 C--O 1.266 1.93 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 -176.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -97.79 -10.07 25.45 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.197 0.999 . . . . 0.0 113.278 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 51.0 p . . . . . 0 C--O 1.259 1.58 0 O-C-N 124.741 1.275 . . . . 0.0 113.668 -177.919 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.432 -8.649 3 O4'-C4'-C3' 99.889 -5.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.368 -7.129 2 O4'-C1'-N19 115.943 10.178 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.078 1 O4'-C4'-C3' 112.181 6.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 6 P--O3' 1.51 -8.043 4 C4'-C3'-C2' 96.371 -6.829 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.035 3 P-O3'-C3' 127.96 6.884 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.606 6.062 1 O4'-C1'-N19 112.784 6.23 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.591 6.26 1 O4'-C1'-N19 104.383 -4.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.797 5 O4'-C1'-N19 116.311 10.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -4.96 3 O4'-C4'-C3' 111.938 6.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.661 4.513 1 P-O3'-C3' 126.004 5.253 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.442 -5.644 2 O4'-C1'-N19 113.49 7.112 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.646 16.905 3 O4'-C1'-N19 101.971 -7.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.467 3 O4'-C1'-N19 122.179 17.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.995 1 O4'-C1'-N19 115.011 9.014 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.669 7.632 1 O4'-C1'-N19 112.768 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.495 4.496 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.429 ' C8 ' ' HD3' ' P' ' 51' ' ' LYS . . . . . . . . 3 P--O5' 1.655 6.248 2 O4'-C1'-N19 112.969 6.462 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.469 -5.204 2 O5'-C5'-C4' 118.708 6.077 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.73 1 O4'-C1'-C2' 99.988 -5.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.372 -4.249 3 P-O3'-C3' 126.56 5.717 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.552 5.143 2 O4'-C1'-N19 115.438 9.547 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.526 -6.751 2 O4'-C1'-N19 111.773 4.966 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.615 9.738 2 O4'-C4'-C3' 112.842 7.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.16 3 O5'-C5'-C4' 117.88 5.485 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . 0.466 ' C5 ' ' C4 ' ' B' ' 94' ' ' ' DC' . . . . . . . . 4 C5'--C4' 1.564 6.648 3 O4'-C4'-C3' 112.631 7.031 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . 0.466 ' C4 ' ' C5 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.36 -5.449 3 O5'-C5'-C4' 124.209 10.006 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.554 0 CA-C-O 115.893 -2.615 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.261 35.7 Cg_exo -47.1 -46.97 17.92 Favored 'Trans proline' 0 C--O 1.169 -2.949 2 C-N-CA 126.737 4.958 . . . . 0.0 117.991 172.632 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -157.05 108.6 2.38 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 130.37 3.468 . . . . 0.0 112.501 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.21 156.99 44.88 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.071 -1.643 . . . . 0.0 110.671 178.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 52.6 p -84.29 142.91 29.88 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 129.31 3.044 . . . . 0.0 118.016 -169.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -139.82 71.18 1.37 Allowed 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.923 1.689 . . . . 0.0 107.784 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 29.8 m -39.83 108.28 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 1 C-N-CA 133.023 4.529 . . . . 0.0 105.671 -178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 98.5 m -106.51 103.65 13.15 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 109.659 -3.428 . . . . 0.0 106.218 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -51.78 150.43 4.04 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-N 113.261 -1.79 . . . . 0.0 112.681 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p -83.43 169.42 15.56 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 124.378 1.071 . . . . 0.0 108.981 165.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.601 ' HB2' HD11 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 20' ' ' HIS . . . . . 0.411 ' HB2' HD11 ' P' ' 35' ' ' LEU . 60.9 m80 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 48' ' ' ILE . . . . . 0.431 HD12 ' C7 ' ' A' ' 76' ' ' ' DT' . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -52.71 56.87 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.345 3.2 p30 -57.7 -36.27 71.74 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.83 1.331 . . . . 0.0 113.182 175.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -55.97 -48.06 76.51 Favored 'General case' 1 C--O 1.314 4.475 0 C-N-CA 126.998 2.119 . . . . 0.0 108.212 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -55.77 -48.76 74.74 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-O 125.377 2.513 . . . . 0.0 109.974 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -70.86 -50.22 37.55 Favored 'General case' 0 C--N 1.396 2.597 0 O-C-N 117.944 -2.973 . . . . 0.0 112.255 -173.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 56' ' ' ARG . . . . . 0.4 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 26.1 ttm105 -49.56 -48.43 48.52 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 171.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -58.95 -48.45 81.47 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 118.014 -1.475 . . . . 0.0 112.504 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' P' ' 58' ' ' LYS . 9.3 ptpt -69.06 -40.08 78.74 Favored 'General case' 0 C--N 1.398 2.693 0 O-C-N 117.406 -3.308 . . . . 0.0 110.888 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 14.0 mt -59.93 -45.27 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 124.721 1.208 . . . . 0.0 108.402 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.64 -32.85 74.65 Favored 'General case' 0 CA--C 1.483 -1.606 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 170.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -62.48 -15.57 50.71 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.863 1.665 . . . . 0.0 109.328 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -93.13 -7.12 46.34 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.68 -3.138 . . . . 0.0 113.704 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -146.81 -47.66 0.18 Allowed 'General case' 0 C--N 1.369 1.424 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -172.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.258 24.6 t-80 -177.07 147.99 0.6 Allowed 'General case' 0 N--CA 1.522 3.148 0 C-N-CA 130.864 3.666 . . . . 0.0 107.127 168.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -110.47 128.78 55.77 Favored 'General case' 0 C--O 1.285 2.965 0 C-N-CA 118.481 -1.288 . . . . 0.0 114.434 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -62.72 -12.89 26.74 Favored 'General case' 0 C--O 1.2 -1.52 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -92.47 -53.53 4.17 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 126.039 2.087 . . . . 0.0 108.206 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.51 2.572 0 C-N-CA 130.562 3.545 . . . . 0.0 112.324 179.45 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.594 10.368 2 O5'-C5'-C4' 117.382 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.606 7.763 3 P-O3'-C3' 128.348 7.206 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.229 2 P-O3'-C3' 127.347 6.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 8.108 1 C1'-O4'-C4' 101.815 -5.632 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.503 -9.049 4 O4'-C1'-N19 111.93 5.163 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . 0.4 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 P--O5' 1.668 7.548 2 O5'-C5'-C4' 118.111 5.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 4 O4'-C1'-N19 101.888 -7.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . 0.431 ' C7 ' HD12 ' P' ' 48' ' ' ILE . . . . . . . . 2 C3'--C2' 1.576 5.847 5 O4'-C4'-C3' 115.184 9.584 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.452 -6.619 3 P-O3'-C3' 127.58 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.345 4 O4'-C1'-N19 97.105 -13.369 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.866 3 O4'-C1'-N19 112.737 6.171 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.566 6.826 2 P-O3'-C3' 129.25 7.958 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.482 4.759 2 O4'-C1'-N19 118.657 13.571 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.451 -6.684 2 C4'-C3'-C2' 97.876 -5.324 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.602 11.325 1 C4'-C3'-C2' 98.299 -4.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.451 -7.74 3 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . 0.419 " H4'" ' OP1' ' B' ' 86' ' ' ' DG' . . . . . . . . 3 P--O5' 1.548 -4.545 2 O4'-C1'-N19 113.96 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . 0.437 H2'' ' C8 ' ' B' ' 87' ' ' ' DA' . . . . . . . . 5 O4'--C4' 1.394 -4.749 2 O4'-C1'-N19 102.496 -6.63 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.573 5.455 2 C4'-C3'-C2' 97.224 -5.976 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.032 1 O4'-C1'-N19 113.097 6.621 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.681 6.148 1 O5'-C5'-C4' 116.761 4.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.369 -4.806 4 O4'-C1'-N19 121.241 16.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.473 -4.695 1 P-O3'-C3' 126.431 5.61 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.678 5.891 2 P-O3'-C3' 127.134 6.195 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.67 5.288 7 O4'-C1'-N19 116.105 10.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.508 -8.541 3 O4'-C1'-N19 112.973 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.842 0 CA-C-O 116.859 -2.078 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -41.28 -34.51 1.78 Allowed 'Trans proline' 0 C--N 1.298 -2.082 1 C-N-CA 133.031 9.154 . . . . 0.0 109.12 -175.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 47.83 2.21 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 117.761 -3.087 . . . . 0.0 111.638 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.463 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 41.2 tpt85 -69.72 -16.96 63.42 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.311 -1.493 . . . . 0.0 112.358 168.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.2 t -155.9 168.91 25.73 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-O 116.87 -1.538 . . . . 0.0 109.075 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -137.34 -47.32 0.57 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 130.54 3.536 . . . . 0.0 116.743 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 72.8 m -124.89 141.57 52.03 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 123.81 1.767 . . . . 0.0 114.007 -169.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -116.66 101.59 8.71 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 155.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.81 143.63 25.03 Favored 'General case' 0 N--CA 1.519 3.011 1 O-C-N 115.838 -4.289 . . . . 0.0 108.359 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p -102.25 166.91 10.32 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 130.246 3.418 . . . . 0.0 111.357 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 16' ' ' GLU . . . . . 0.642 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' P' ' 47' ' ' LYS . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 28' ' ' THR . . . . . 0.514 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 31' ' ' ARG . . . . . 0.514 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 35' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' P' ' 27' ' ' LEU . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 48' ' ' ILE . . . . . 0.545 HD13 " H2'" ' A' ' 75' ' ' ' DA' 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -55.48 -55.82 27.41 Favored 'General case' 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -53.67 -37.44 63.18 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 126.159 2.162 . . . . 0.0 114.119 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.33 -55.9 20.86 Favored 'General case' 0 N--CA 1.533 3.704 0 C-N-CA 131.07 3.748 . . . . 0.0 112.486 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -63.91 -47.62 79.84 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.97 1.419 . . . . 0.0 114.13 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 55' ' ' ARG . . . . . 0.447 ' O ' HD12 ' P' ' 59' ' ' ILE . 33.5 mmm-85 -59.74 -51.38 70.01 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 128.152 2.581 . . . . 0.0 108.038 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -57.74 -49.12 77.64 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.199 -1.563 . . . . 0.0 113.316 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -57.53 -50.58 72.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.483 3.113 . . . . 0.0 108.876 -171.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.346 7.1 ptpt -70.97 -34.2 71.18 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 59' ' ' ILE . . . . . 0.447 HD12 ' O ' ' P' ' 55' ' ' ARG . 25.6 mt -60.15 -57.2 12.88 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.014 0 O-C-N 125.469 1.73 . . . . 0.0 114.096 165.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.22 -32.67 66.74 Favored 'General case' 0 C--N 1.375 1.677 0 O-C-N 120.106 -1.621 . . . . 0.0 113.317 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 16.1 m -67.71 -5.04 14.1 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 117.43 -3.294 . . . . 0.0 116.394 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.24 -10.93 10.7 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.507 1.123 . . . . 0.0 113.537 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -87.77 113.5 23.49 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.298 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.301 11.2 p80 42.43 51.04 4.76 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 126.707 2.504 . . . . 0.0 110.283 -171.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.333 21.1 tttp -48.71 -55.36 11.6 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 125.083 2.373 . . . . 0.0 113.954 -167.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 51.43 19.07 0.74 Allowed 'General case' 0 C--O 1.209 -1.064 0 C-N-CA 130.771 3.628 . . . . 0.0 118.685 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -143.38 133.98 25.01 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 116.93 -3.606 . . . . 0.0 106.959 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.282 0 O-C-N 118.173 -2.829 . . . . 0.0 111.572 171.248 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.361 2 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.56 -3.299 1 P-O3'-C3' 124.508 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.2 5 O4'-C1'-N19 114.031 7.788 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.429 5 O4'-C1'-N19 102.403 -6.747 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.648 5.471 2 O4'-C1'-N19 102.686 -6.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.485 -4.31 1 O5'-C5'-C4' 116.173 4.266 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . 0.545 " H2'" HD13 ' P' ' 48' ' ' ILE . . . . . . . . 1 C5'--C4' 1.556 5.568 3 O5'-C5'-C4' 123.079 9.199 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 6.948 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.362 -7.591 3 O4'-C1'-N19 115.116 9.144 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.57 7.38 4 O5'-C5'-C4' 118.944 6.246 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.498 1 C4'-C3'-O3' 100.269 -4.56 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.478 -4.973 3 O4'-C4'-C3' 112.058 6.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.97 5 O4'-C1'-N19 116.658 11.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.261 2 O4'-C1'-N19 113.703 7.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.083 3 O5'-C5'-C4' 120.711 7.508 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.16 1 O4'-C1'-N19 112.59 5.988 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.516 -7.698 2 O5'-C5'-C4' 120.138 7.099 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.585 9.197 2 O4'-C1'-N19 114.651 8.564 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.516 -7.587 2 P-O3'-C3' 126.758 5.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.951 4 C4'-C3'-C2' 93.86 -9.34 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.583 5.497 3 P-O3'-C3' 128.04 6.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.551 5.001 2 C4'-C3'-C2' 96.201 -6.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.463 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 2 C5'--C4' 1.582 8.835 4 O4'-C1'-C2' 112.796 6.087 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.364 2 P-O3'-C3' 126.407 5.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.881 3 O4'-C1'-N19 112.664 6.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.564 4.585 0 O4'-C1'-N19 105.095 -3.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 CA-C-O 120.239 -0.201 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -69.86 -10.07 27.6 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 C-N-CA 124.3 3.333 . . . . 0.0 115.732 171.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.475 ' HD2' H5'' ' B' ' 90' ' ' ' DA' . 0.0 OUTLIER -124.05 30.98 5.94 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 118.642 -2.536 . . . . 0.0 105.623 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 4' ' ' ARG . . . . . 0.401 ' CG ' " H5'" ' B' ' 91' ' ' ' DG' . 0.0 OUTLIER -144.98 168.14 20.98 Favored 'General case' 0 N--CA 1.518 2.953 0 C-N-CA 130.528 3.531 . . . . 0.0 111.912 -177.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.429 14.8 t -71.62 161.1 31.53 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 118.528 -2.608 . . . . 0.0 114.558 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -96.68 7.45 46.54 Favored 'General case' 0 N--CA 1.529 3.504 0 CA-C-N 121.275 1.852 . . . . 0.0 112.612 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -89.43 146.14 24.85 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 129.623 3.169 . . . . 0.0 114.761 169.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -152.87 104.14 2.82 Favored 'General case' 0 N--CA 1.4 -2.94 1 N-CA-C 98.285 -4.709 . . . . 0.0 98.285 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -57.79 145.8 33.65 Favored 'General case' 0 C--O 1.28 2.699 0 O-C-N 126.946 2.654 . . . . 0.0 114.952 -169.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p -102.28 167.29 10.08 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.969 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 27' ' ' LEU . . . . . 0.638 HD11 HG12 ' P' ' 46' ' ' VAL . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 32' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' P' ' 43' ' ' THR 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' P' ' 17' ' ' LEU . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 43' ' ' THR . . . . . 0.494 ' HB ' HD21 ' P' ' 32' ' ' LEU . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 46' ' ' VAL . . . . . 0.638 HG12 HD11 ' P' ' 27' ' ' LEU . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 49' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 50' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -66.27 -55.12 17.64 Favored 'General case' 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -53.44 -37.25 62.4 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 125.988 2.055 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -78.54 -33.45 47.83 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.208 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -60.48 -45.86 92.22 Favored 'General case' 0 N--CA 1.539 3.982 0 CA-C-N 120.799 1.636 . . . . 0.0 113.522 164.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -56.56 -57.62 11.56 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 168.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -51.0 -43.26 60.78 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 119.836 -1.79 . . . . 0.0 109.703 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -70.84 -47.48 59.11 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.049 3.339 . . . . 0.0 110.193 -174.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -72.25 -37.11 69.18 Favored 'General case' 0 C--O 1.193 -1.89 0 O-C-N 117.324 -3.36 . . . . 0.0 109.292 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.23 -51.15 50.5 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 126.464 3.031 . . . . 0.0 110.763 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.08 -40.27 84.74 Favored 'General case' 0 CA--C 1.464 -2.341 0 C-N-CA 127.816 2.447 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -81.07 0.22 36.94 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -134.37 -41.91 0.79 Allowed 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 125.331 1.453 . . . . 0.0 111.266 -164.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.68 -39.48 91.59 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 118.756 -2.465 . . . . 0.0 112.635 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.85 157.03 46.38 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 126.403 2.315 . . . . 0.0 116.037 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 72.5 tttt 34.71 49.72 0.39 Allowed 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 126.683 1.993 . . . . 0.0 113.171 170.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.4 145.98 52.44 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 118.925 -2.36 . . . . 0.0 111.361 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -143.68 -8.77 0.73 Allowed 'General case' 0 C--O 1.264 1.826 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 CA--C 1.573 1.835 0 CA-C-O 112.784 -3.484 . . . . 0.0 114.901 -164.11 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.382 -5.801 1 O4'-C1'-N19 118.711 13.638 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.401 3 O4'-C4'-C3' 115.802 10.202 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.764 5 O4'-C1'-N19 118.958 13.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.559 3.132 2 O4'-C4'-C3' 111.318 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.597 3 P-O3'-C3' 125.74 5.034 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.376 3 O4'-C1'-N19 101.133 -8.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 2 O4'-C1'-N19 115.173 9.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.615 9.656 2 P-O3'-C3' 131.64 9.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.589 9.771 3 C5'-C4'-C3' 107.201 -4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.561 3 O4'-C4'-C3' 111.208 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.598 8.046 3 P-O3'-C3' 128.59 7.408 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.409 4 O4'-C1'-C2' 113.657 6.87 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.806 4 O4'-C1'-N19 119.227 14.284 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.354 -8.325 1 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.565 4.747 4 O4'-C1'-N19 101.478 -7.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.652 5.876 3 C4'-C3'-C2' 96.401 -6.799 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.354 -5.354 4 O4'-C1'-N19 119.926 15.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.586 9.361 2 O4'-C4'-C3' 110.505 4.905 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.641 4.806 1 C5'-C4'-C3' 121.425 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 4 C5'-C4'-C3' 105.848 -5.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.474 -4.428 3 O4'-C1'-N19 115.177 9.221 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ' DA' . . . . . 0.475 H5'' ' HD2' ' P' ' 3' ' ' ARG . . . . . . . . 2 O4'--C4' 1.386 -5.498 3 P-O3'-C3' 127.507 6.506 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ' DG' . . . . . 0.401 " H5'" ' CG ' ' P' ' 4' ' ' ARG . . . . . . . . 2 C3'--C2' 1.594 7.573 4 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.499 -9.01 4 O4'-C1'-N19 115.559 9.699 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.79 2 O5'-C5'-C4' 120.507 7.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.932 6 C5'-C4'-C3' 104.028 -7.115 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 CA--C 1.478 -1.817 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.604 HD21 HD11 ' P' ' 39' ' ' LEU . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' P' ' 31' ' ' ARG . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.531 ' HB3' HD23 ' P' ' 27' ' ' LEU . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' P' ' 27' ' ' LEU . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.604 HD11 HD21 ' P' ' 17' ' ' LEU . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.509 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' P' ' 17' ' ' LEU . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt . . . . . 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' P' ' 50' ' ' PHE . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' P' ' 36' ' ' SER . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' P' ' 39' ' ' LEU 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' P' ' 33' ' ' ALA . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' P' ' 35' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.422 ' HE3' ' CD2' ' P' ' 50' ' ' PHE . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' P' ' 27' ' ' LEU . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt . . . . . 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 118.827 -0.606 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.593 ' CD2' HD21 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' P' ' 35' ' ' LEU . 82.9 m-70 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' P' ' 47' ' ' LYS . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.411 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' P' ' 38' ' ' LYS . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' P' ' 34' ' ' ASP . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' P' ' 27' ' ' LEU . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt . . . . . 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.58 ' CD2' HD11 ' P' ' 35' ' ' LEU . 94.5 m-70 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . 0.537 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' P' ' 32' ' ' LEU . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' P' ' 27' ' ' LEU . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.58 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? . . . . . 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.266 1.936 0 CA-C-O 118.564 -0.732 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.578 HD21 HG13 ' P' ' 46' ' ' VAL . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' P' ' 35' ' ' LEU . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . 0.4 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.45 HD11 ' HG3' ' P' ' 47' ' ' LYS 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . 0.446 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.578 HG13 HD21 ' P' ' 17' ' ' LEU . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' P' ' 27' ' ' LEU . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 44.9 p . . . . . 0 CA--C 1.579 2.069 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.632 ' HG ' HD21 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.448 ' CD2' HD13 ' P' ' 35' ' ' LEU 0.281 73.2 m-70 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.497 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.497 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.507 HD23 ' C ' ' P' ' 32' ' ' LEU . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' P' ' 20' ' ' HIS . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.632 HD21 ' HG ' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? . . . . . 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.515 2.79 0 N-CA-C 105.269 -2.122 . . . . 0.0 105.269 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.416 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.503 ' CD2' HD11 ' P' ' 35' ' ' LEU . 88.8 m-70 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' P' ' 47' ' ' LYS . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' P' ' 43' ' ' THR 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.519 ' CA ' HD21 ' P' ' 32' ' ' LEU . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.681 ' HA ' HD12 ' P' ' 27' ' ' LEU . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.681 HE22 HD21 ' P' ' 41' ' ' LEU . 71.8 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.472 ' HG ' HD21 ' P' ' 39' ' ' LEU . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' P' ' 21' ' ' PHE . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' P' ' 18' ' ' GLU . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' P' ' 50' ' ' PHE 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.672 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.439 HD21 ' O ' ' P' ' 43' ' ' THR . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.472 HD21 ' HG ' ' P' ' 17' ' ' LEU 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.681 HD21 HE22 ' P' ' 13' ' ' GLN . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.439 ' O ' HD21 ' P' ' 32' ' ' LEU . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . 0.481 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' P' ' 27' ' ' LEU . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? . . . . . 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.638 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.476 HD11 HG12 ' P' ' 46' ' ' VAL . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.451 ' HB2' HD22 ' P' ' 27' ' ' LEU . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.638 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.488 HD11 HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.476 HG12 HD11 ' P' ' 27' ' ' LEU . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' P' ' 27' ' ' LEU . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt . . . . . 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.674 HD11 HG12 ' P' ' 46' ' ' VAL . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.424 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' P' ' 16' ' ' GLU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.674 HG12 HD11 ' P' ' 27' ' ' LEU . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.404 ' HG2' HD12 ' P' ' 27' ' ' LEU . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . 0.79 HD13 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . 0.79 ' HE2' HD13 ' P' ' 48' ' ' ILE . 4.4 mtpt . . . . . 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.591 HE22 HD21 ' P' ' 41' ' ' LEU . 42.3 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.628 ' CD2' HD11 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.591 HD21 HE22 ' P' ' 13' ' ' GLN . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' P' ' 27' ' ' LEU . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . 0.429 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.502 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' P' ' 39' ' ' LEU . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' P' ' 47' ' ' LYS . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.498 HD12 HD11 ' P' ' 27' ' ' LEU . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . 0.497 ' HZ2' ' HB2' ' P' ' 38' ' ' LYS . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.603 HD21 ' HG ' ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' P' ' 41' ' ' LEU . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' P' ' 27' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt . . . . . 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.598 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.731 HD11 HG12 ' P' ' 46' ' ' VAL . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.598 HD11 HD21 ' P' ' 17' ' ' LEU . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' P' ' 41' ' ' LEU . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.731 HG12 HD11 ' P' ' 27' ' ' LEU . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' P' ' 27' ' ' LEU . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' P' ' 49' ' ' TRP . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' P' ' 27' ' ' LEU . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.421 HD12 HD13 ' P' ' 39' ' ' LEU . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.481 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.681 ' CG ' HD13 ' P' ' 17' ' ' LEU . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.78 HE22 HD21 ' P' ' 41' ' ' LEU . 73.3 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.476 HD22 ' H ' ' P' ' 27' ' ' LEU . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.504 HD21 ' O ' ' P' ' 43' ' ' THR 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.78 HD21 HE22 ' P' ' 13' ' ' GLN . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.504 ' O ' HD21 ' P' ' 32' ' ' LEU . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' P' ' 32' ' ' LEU . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' P' ' 27' ' ' LEU . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.409 -2.476 0 CA-C-O 120.58 0.228 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.527 HD21 HD11 ' P' ' 39' ' ' LEU . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.441 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' P' ' 47' ' ' LYS . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' P' ' 39' ' ' LEU . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.748 HD13 HD12 ' P' ' 41' ' ' LEU 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.748 HD12 HD13 ' P' ' 39' ' ' LEU . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' P' ' 32' ' ' LEU . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? . . . . . 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.195 -1.792 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.807 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' P' ' 22' ' ' LEU . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.559 ' HB2' HD11 ' P' ' 35' ' ' LEU . 87.8 m-70 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' P' ' 18' ' ' GLU . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' P' ' 50' ' ' PHE . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.447 ' CD1' ' HG ' ' P' ' 27' ' ' LEU . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' P' ' 41' ' ' LEU . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.409 ' HB ' HD12 ' P' ' 32' ' ' LEU . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' P' ' 27' ' ' LEU . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.601 ' HB2' HD11 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . 0.439 ' CD2' HD11 ' P' ' 35' ' ' LEU . 93.9 m-70 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.947 0.88 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . 0.642 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' P' ' 47' ' ' LYS . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . 0.514 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . 0.514 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' P' ' 27' ' ' LEU . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt . . . . . 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.507 2.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 13' ' ' GLN . . . . . 0.544 HE22 HD21 ' P' ' 41' ' ' LEU . 72.6 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 27' ' ' LEU . . . . . 0.638 HD11 HG12 ' P' ' 46' ' ' VAL . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 32' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' P' ' 43' ' ' THR 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' P' ' 17' ' ' LEU . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . 0.544 HD21 HE22 ' P' ' 13' ' ' GLN . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 43' ' ' THR . . . . . 0.494 ' HB ' HD21 ' P' ' 32' ' ' LEU . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 46' ' ' VAL . . . . . 0.638 HG12 HD11 ' P' ' 27' ' ' LEU . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 47' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 49' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 50' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? . . . . . 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.961 0 CA-C-O 116.14 -2.478 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -64.15 -24.64 65.88 Favored 'Trans proline' 0 N--CA 1.509 2.428 1 CA-C-N 124.247 4.024 . . . . 0.0 117.905 -170.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.5 70.09 0.18 Allowed 'General case' 0 CA--C 1.498 -1.024 1 C-N-CA 133.842 4.857 . . . . 0.0 113.182 -178.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 167.61 2.09 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 169.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . 0.456 ' C ' ' H ' ' P' ' 7' ' ' THR . 7.7 p 42.94 49.35 5.2 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-O 125.243 2.449 . . . . 0.0 116.252 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -63.8 9.67 0.06 Allowed 'General case' 0 C--O 1.267 1.984 0 C-N-CA 130.557 3.543 . . . . 0.0 112.564 164.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . 0.456 ' H ' ' C ' ' P' ' 5' ' ' THR . 34.4 m -162.57 155.03 19.14 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 126.115 2.865 . . . . 0.0 105.538 -175.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -143.22 118.66 10.3 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-N 109.67 -3.423 . . . . 0.0 109.799 169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -65.61 164.71 13.73 Favored 'General case' 0 C--O 1.254 1.335 0 C-N-CA 129.933 3.293 . . . . 0.0 111.001 175.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -142.73 172.81 12.19 Favored 'General case' 0 CA--C 1.478 -1.817 1 CA-C-N 105.541 -5.299 . . . . 0.0 109.751 167.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 47.6 m -48.2 -29.99 4.25 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 126.76 2.024 . . . . 0.0 115.657 167.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 16.2 m -70.41 -41.93 72.32 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 127.216 2.207 . . . . 0.0 111.551 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -43.33 82.56 Favored 'General case' 0 C--O 1.277 2.504 0 CA-C-O 117.054 -1.451 . . . . 0.0 114.379 169.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 55.1 mt -61.98 -31.53 51.5 Favored 'Isoleucine or valine' 0 C--O 1.26 1.624 0 CA-C-O 117.503 -1.237 . . . . 0.0 110.69 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -42.33 80.31 Favored 'General case' 0 CA--C 1.572 1.798 0 CA-C-N 122.106 2.23 . . . . 0.0 115.264 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -52.84 55.23 Favored 'General case' 0 CA--C 1.457 -2.598 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 168.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.604 HD21 HD11 ' P' ' 39' ' ' LEU . 23.0 mt -52.48 -54.17 36.03 Favored 'General case' 0 N--CA 1.421 -1.9 0 C-N-CA 126.864 2.066 . . . . 0.0 113.14 -177.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.78 -43.87 98.0 Favored 'General case' 0 CA--C 1.577 2.008 0 O-C-N 126.792 2.558 . . . . 0.0 115.062 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -73.86 -37.11 64.87 Favored 'General case' 0 CA--C 1.465 -2.303 0 O-C-N 119.259 -2.151 . . . . 0.0 110.4 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -80.51 -24.39 39.4 Favored 'General case' 0 N--CA 1.505 2.279 0 CA-C-N 124.581 3.355 . . . . 0.0 116.18 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.75 -41.28 63.88 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 116.056 1.873 . . . . 0.0 116.056 163.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.77 -37.22 70.8 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.982 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -74.46 -23.24 58.86 Favored 'General case' 0 N--CA 1.404 -2.744 0 N-CA-C 117.595 2.442 . . . . 0.0 117.595 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.46 94.93 0.15 Allowed Glycine 0 N--CA 1.505 3.27 0 O-C-N 120.881 -1.137 . . . . 0.0 110.272 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -3.01 8.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 128.763 2.825 . . . . 0.0 114.525 -173.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -129.74 142.47 50.7 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 128.01 2.524 . . . . 0.0 107.556 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' P' ' 31' ' ' ARG . 18.3 mt -85.48 149.2 25.55 Favored 'General case' 0 N--CA 1.403 -2.815 1 CA-C-O 128.785 4.136 . . . . 0.0 115.205 174.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 70.9 p -141.86 168.91 18.62 Favored 'General case' 0 N--CA 1.492 1.627 1 CA-C-N 107.818 -4.265 . . . . 0.0 107.831 165.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.31 . . -46.07 -53.48 21.73 Favored Pre-proline 0 CA--C 1.577 2.018 0 CA-C-O 114.638 -2.601 . . . . 0.0 111.846 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.253 18.5 Cg_endo -60.87 -38.6 68.61 Favored 'Trans proline' 0 C--O 1.263 1.738 0 C-N-CA 124.419 3.412 . . . . 0.0 114.621 177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.531 ' HB3' HD23 ' P' ' 27' ' ' LEU . 0.9 OUTLIER -65.74 -49.22 69.19 Favored 'General case' 0 N--CA 1.523 3.213 0 CA-C-O 122.606 1.193 . . . . 0.0 111.565 177.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' P' ' 27' ' ' LEU . 1.4 tp -59.65 -46.04 90.21 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 130.248 3.419 . . . . 0.0 109.684 174.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.72 -48.49 71.79 Favored 'General case' 0 N--CA 1.52 3.054 0 O-C-N 117.205 -3.435 . . . . 0.0 113.684 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -55.47 -45.86 76.91 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -35.65 78.41 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 123.562 1.648 . . . . 0.0 113.032 173.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.3 2.4 t -62.07 -43.13 99.49 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.398 -1.439 . . . . 0.0 110.34 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -41.59 90.36 Favored 'General case' 0 C--O 1.262 1.723 0 O-C-N 119.212 -2.18 . . . . 0.0 110.048 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -79.55 -44.6 20.81 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.604 HD11 HD21 ' P' ' 17' ' ' LEU . 16.6 mt -68.23 -26.11 65.54 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 122.404 1.097 . . . . 0.0 108.357 174.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.416 . . 62.87 44.52 6.17 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 -163.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 mt -128.06 154.3 45.83 Favored 'General case' 0 CA--C 1.452 -2.803 0 C-N-CA 129.19 2.996 . . . . 0.0 106.416 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.63 156.09 6.15 Favored Glycine 0 N--CA 1.498 2.827 0 O-C-N 117.505 -3.247 . . . . 0.0 114.544 166.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.509 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 3.9 p -66.63 -23.1 66.12 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 119.94 -1.917 . . . . 0.0 113.43 174.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.86 70.48 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -60.57 -33.96 73.47 Favored 'General case' 0 N--CA 1.407 -2.575 0 CA-C-O 114.039 -2.886 . . . . 0.0 112.324 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.1 t -64.63 -49.67 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.238 0 CA-C-N 123.597 2.908 . . . . 0.0 111.69 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.2 OUTLIER -46.47 -53.93 10.23 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 124.974 1.31 . . . . 0.0 110.692 167.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.7 -32.7 59.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 116.75 -1.595 . . . . 0.0 106.702 -170.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' P' ' 17' ' ' LEU . 46.9 t90 -68.98 -47.37 65.75 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 121.892 2.133 . . . . 0.0 115.3 172.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -56.2 -39.9 73.16 Favored 'General case' 0 N--CA 1.52 3.045 0 CA-C-O 124.564 2.126 . . . . 0.0 114.507 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -62.57 -57.87 9.59 Favored 'General case' 0 N--CA 1.518 2.931 0 CA-C-N 112.53 -2.123 . . . . 0.0 110.122 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -55.41 -39.79 70.65 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 115.21 -2.329 . . . . 0.0 108.687 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -64.92 -50.75 65.24 Favored 'General case' 0 C--O 1.272 2.26 0 CA-C-N 121.865 2.12 . . . . 0.0 108.684 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -53.84 -44.37 70.25 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 123.455 2.843 . . . . 0.0 114.106 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.443 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 44.2 mmm-85 -59.04 -48.83 80.16 Favored 'General case' 0 N--CA 1.528 3.429 0 O-C-N 118.448 -2.657 . . . . 0.0 107.282 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -41.28 97.01 Favored 'General case' 1 N--CA 1.559 5.023 0 C-N-CA 124.587 1.155 . . . . 0.0 110.29 179.532 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -62.64 -60.31 3.7 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 119.745 1.157 . . . . 0.0 112.846 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -23.62 63.46 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 33.6 mt -62.99 -54.09 38.09 Favored 'Isoleucine or valine' 0 C--O 1.272 2.249 0 O-C-N 124.303 1.002 . . . . 0.0 110.052 169.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.31 -26.12 66.37 Favored 'General case' 0 C--O 1.265 1.88 0 O-C-N 124.832 1.333 . . . . 0.0 112.198 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.274 4.3 p -80.98 -37.24 29.64 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 122.215 2.279 . . . . 0.0 108.084 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . 0.277 0.6 OUTLIER -64.68 -38.93 92.69 Favored 'General case' 0 C--O 1.25 1.115 0 CA-C-N 120.519 1.509 . . . . 0.0 111.969 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.43 -2.56 0.21 Allowed 'General case' 0 N--CA 1.427 -1.587 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 166.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -132.85 31.18 3.95 Favored 'General case' 0 N--CA 1.505 2.284 0 C-N-CA 128.861 2.865 . . . . 0.0 114.068 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -56.44 145.66 26.91 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 124.921 1.388 . . . . 0.0 114.517 168.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -123.62 -176.49 3.47 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 166.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -157.16 165.6 35.53 Favored 'General case' 0 CA--C 1.611 3.301 0 C-N-CA 125.208 1.403 . . . . 0.0 107.908 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.1 p . . . . . 0 CA--C 1.573 1.858 0 C-N-CA 127.218 2.207 . . . . 0.0 111.262 -179.14 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.584 5.581 1 O5'-C5'-C4' 117.198 4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C1' 1.337 -6.412 3 C4'-C3'-C2' 98.078 -5.122 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.167 4 O4'-C1'-N19 113.143 6.679 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.198 1 O4'-C1'-N19 114.491 8.364 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.463 -5.545 2 O4'-C1'-N19 114.157 7.947 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.483 4.855 3 O4'-C1'-N19 101.771 -7.537 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . 0.409 " H4'" ' H ' ' P' ' 5' ' ' THR . . . . . . . . 0 C4'--C3' 1.551 2.272 1 O4'-C1'-N19 113.732 7.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . 0.445 H2'' ' C6 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.56 6.073 3 P-O3'-C3' 127.916 6.847 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . 0.445 ' C6 ' H2'' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 P--O3' 1.526 -6.721 1 O4'-C1'-N19 103.789 -5.013 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' A' ' 77' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.377 -4.179 1 C5'-C4'-C3' 124.651 6.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 5.05 2 P-O3'-C3' 125.811 5.092 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.815 2 P-O3'-C3' 126.51 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.363 -4.401 2 C1'-O4'-C4' 101.548 -5.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.774 2 C5'-C4'-C3' 123.869 6.113 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.591 10.024 3 P-O3'-C3' 130.641 9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.673 8.023 0 C4'-C3'-O3' 102.463 -3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.443 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 1 C3'--C2' 1.61 9.156 4 O4'-C1'-N19 115.049 9.061 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 6 P--O5' 1.667 7.384 5 C4'-C3'-C2' 111.749 8.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.051 2 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.584 6.595 2 O4'-C1'-N19 115.306 9.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.66 6.719 2 O4'-C1'-N19 102.981 -6.024 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.346 3 O4'-C1'-N19 112.468 5.835 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--OP2 1.412 -4.317 6 O4'-C1'-N19 114.785 8.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 7.958 2 O4'-C1'-N19 116.051 10.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.373 -4.175 4 O4'-C1'-C2' 95.806 -9.359 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O3'--C3' 1.328 -7.958 1 O4'-C1'-N19 101.908 -7.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.878 0 CA-C-O 115.046 -3.086 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.06 -43.46 7.28 Favored 'Trans proline' 0 CA--C 1.475 -2.44 0 O-C-N 124.964 2.034 . . . . 0.0 115.742 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -149.38 118.21 6.66 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 127.714 2.406 . . . . 0.0 106.24 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.97 150.0 34.28 Favored 'General case' 0 N--CA 1.506 2.361 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.768 -168.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -117.89 162.0 18.84 Favored 'General case' 0 N--CA 1.426 -1.637 0 O-C-N 126.836 2.585 . . . . 0.0 114.196 -167.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.48 133.65 15.2 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 111.871 -2.422 . . . . 0.0 110.788 162.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 51.6 m -26.74 121.69 0.08 Allowed 'General case' 0 N--CA 1.531 3.605 0 CA-C-N 112.209 -2.269 . . . . 0.0 117.034 156.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.9 m -99.6 111.72 24.03 Favored 'General case' 0 CA--C 1.561 1.387 0 O-C-N 120.012 -1.68 . . . . 0.0 108.718 -168.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -58.39 157.26 8.95 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 116.25 1.945 . . . . 0.0 116.25 -172.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 32.1 p -120.98 166.55 13.68 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 124.826 2.25 . . . . 0.0 109.508 168.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.49 -45.16 18.19 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 126.238 1.815 . . . . 0.0 113.274 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -76.36 -23.75 54.18 Favored 'General case' 0 N--CA 1.52 3.049 0 O-C-N 125.243 1.589 . . . . 0.0 111.062 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -71.67 -54.79 9.2 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -55.96 -33.97 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 126.813 2.57 . . . . 0.0 111.383 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.6 -31.95 73.4 Favored 'General case' 0 C--O 1.261 1.709 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -73.72 -45.86 49.6 Favored 'General case' 0 CA--C 1.503 -0.847 0 C-N-CA 126.756 2.022 . . . . 0.0 110.744 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.03 -48.75 80.46 Favored 'General case' 0 CA--C 1.562 1.426 0 CA-C-N 110.654 -2.975 . . . . 0.0 106.087 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.83 -52.01 61.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 127.143 2.177 . . . . 0.0 113.567 170.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -62.1 -41.35 98.13 Favored 'General case' 0 N--CA 1.419 -2.021 0 CA-C-N 120.319 1.418 . . . . 0.0 113.84 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -76.6 -38.83 54.16 Favored 'General case' 0 CA--C 1.574 1.89 0 O-C-N 120.007 -1.683 . . . . 0.0 115.233 168.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -29.77 0.69 Allowed 'General case' 0 CA--C 1.565 1.525 1 O-C-N 116.202 -4.061 . . . . 0.0 116.136 164.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 63.3 mt -56.36 -21.25 23.47 Favored 'General case' 0 CA--C 1.568 1.661 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.893 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -92.47 -14.63 28.2 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 127.024 2.703 . . . . 0.0 115.617 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.37 127.95 1.19 Allowed Glycine 1 N--CA 1.518 4.101 0 O-C-N 126.072 2.107 . . . . 0.0 112.461 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -72.58 -15.86 61.75 Favored 'General case' 0 N--CA 1.521 3.098 0 CA-C-O 123.63 1.681 . . . . 0.0 115.391 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -146.23 160.95 41.28 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.356 2.663 . . . . 0.0 115.962 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' P' ' 50' ' ' PHE . 1.9 mm? -88.39 159.83 17.85 Favored 'General case' 0 C--N 1.275 -2.634 1 C-N-CA 133.071 4.548 . . . . 0.0 117.227 -166.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -133.71 170.01 16.19 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 104.408 -2.442 . . . . 0.0 104.408 156.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.82 -42.55 90.23 Favored Pre-proline 0 CA--C 1.628 3.97 0 O-C-N 118.057 -2.902 . . . . 0.0 113.32 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -61.74 -38.37 61.0 Favored 'Trans proline' 0 CA--C 1.477 -2.337 0 C-N-CA 122.104 1.869 . . . . 0.0 111.527 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.36 -56.21 6.44 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-N 121.28 1.854 . . . . 0.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' P' ' 43' ' ' THR . 9.8 tp -47.65 -48.75 28.69 Favored 'General case' 0 CA--C 1.599 2.858 0 CA-C-O 117.551 -1.214 . . . . 0.0 110.683 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' P' ' 36' ' ' SER . . . -73.46 -42.33 62.07 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 124.059 0.849 . . . . 0.0 112.972 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.59 -43.9 95.6 Favored 'General case' 0 C--O 1.193 -1.9 0 CA-C-O 125.396 2.522 . . . . 0.0 114.991 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' P' ' 39' ' ' LEU 0.294 0.2 OUTLIER -58.75 -42.94 90.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 117.908 -2.995 . . . . 0.0 112.102 164.042 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . 0.44 ' HB3' ' O ' ' P' ' 33' ' ' ALA . 43.3 t -55.31 -38.18 68.33 Favored 'General case' 0 N--CA 1.504 2.274 0 C-N-CA 125.941 1.696 . . . . 0.0 111.617 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -55.29 11.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 128.38 3.55 . . . . 0.0 108.847 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -81.5 -45.14 16.39 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 128.191 3.432 . . . . 0.0 110.793 -161.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' P' ' 35' ' ' LEU . 0.1 OUTLIER -64.26 -18.06 64.19 Favored 'General case' 0 C--N 1.265 -3.08 0 CA-C-O 113.232 -3.27 . . . . 0.0 108.747 170.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.52 62.19 2.4 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.561 2.437 . . . . 0.0 111.944 -170.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . 0.265 0.2 OUTLIER -148.71 164.99 32.72 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 118.253 2.686 . . . . 0.0 118.253 167.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.19 148.78 48.29 Favored Glycine 1 CA--C 1.584 4.403 0 O-C-N 116.342 -3.974 . . . . 0.0 110.905 -173.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CD2' ' P' ' 32' ' ' LEU . 7.2 p -52.93 -33.46 50.86 Favored 'General case' 0 N--CA 1.523 3.186 0 O-C-N 118.217 -2.931 . . . . 0.0 113.716 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.94 -36.81 75.59 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 119.402 1.001 . . . . 0.0 110.542 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -55.98 -31.07 62.68 Favored 'General case' 0 CA--C 1.556 1.203 0 O-C-N 118.831 -2.418 . . . . 0.0 113.762 173.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 t -71.47 -45.54 68.03 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.071 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -51.78 -58.31 6.77 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 113.506 -3.14 . . . . 0.0 110.79 168.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.8 mm -64.42 -32.59 58.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.11 1 O-C-N 131.084 5.24 . . . . 0.0 111.147 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.422 ' HE3' ' CD2' ' P' ' 50' ' ' PHE . 29.9 t90 -60.09 -67.03 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 170.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' P' ' 27' ' ' LEU . 4.6 m-85 -53.05 -42.09 65.43 Favored 'General case' 0 C--O 1.259 1.59 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . 0.265 19.3 ttpt -58.49 -59.06 5.96 Favored 'General case' 0 CA--C 1.57 1.743 0 C-N-CA 127.327 2.251 . . . . 0.0 107.625 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -39.83 82.2 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 119.694 1.134 . . . . 0.0 112.757 175.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER -65.89 -44.52 85.07 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 120.89 -1.132 . . . . 0.0 113.035 -174.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.685 HH21 " H3'" ' B' ' 84' ' ' ' DG' 0.4 0.0 OUTLIER -67.58 -44.94 76.95 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 127.517 3.011 . . . . 0.0 110.932 177.341 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -54.92 -51.81 64.91 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 100.423 -3.917 . . . . 0.0 100.423 -172.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -65.42 -43.34 90.82 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-O 122.498 1.142 . . . . 0.0 111.318 -169.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -53.4 -53.42 51.51 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.038 1.335 . . . . 0.0 109.295 178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -65.6 -46.69 78.41 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 26.1 mt -53.63 -56.02 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 O-C-N 125.774 1.921 . . . . 0.0 114.774 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -52.46 -34.16 47.62 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.498 -1.715 . . . . 0.0 113.114 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . 0.305 40.0 m -70.07 -25.61 63.61 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.83 -60.56 2.13 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.113 163.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.273 14.2 pt20 -67.52 -2.77 7.07 Favored 'General case' 0 C--N 1.371 1.53 0 N-CA-C 118.008 2.596 . . . . 0.0 118.008 -162.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -121.01 1.34 10.37 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 117.99 -2.944 . . . . 0.0 116.337 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -135.46 161.66 34.83 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 127.512 2.325 . . . . 0.0 112.652 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -118.07 151.07 38.24 Favored 'General case' 0 CA--C 1.59 2.511 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -160.04 -51.31 0.05 Allowed 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.339 171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.533 3.705 0 O-C-N 120.821 -1.174 . . . . 0.0 110.346 -173.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.551 5.045 6 O4'-C1'-N19 117.706 12.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.45 -5.072 3 C3'-C2'-C1' 108.53 4.164 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.909 6 C4'-C3'-C2' 95.379 -7.821 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.531 -6.365 2 O3'-P-O5' 113.125 4.803 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 O4'--C4' 1.364 -7.438 3 O4'-C1'-N19 119.496 14.619 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.432 -9.609 2 O5'-C5'-C4' 122.651 8.894 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.589 6.131 3 O4'-C1'-N19 113.824 7.53 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.423 1 C5'-C4'-C3' 108.478 -4.148 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 7.64 3 O5'-C5'-C4' 119.198 6.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.539 -5.685 6 O4'-C1'-N19 115.944 10.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.581 8.808 2 O4'-C1'-C2' 99.482 -6.016 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.575 4.723 4 P-O3'-C3' 126.933 6.027 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.657 6.41 3 O3'-P-O5' 92.076 -6.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.567 4.882 0 O5'-C5'-C4' 115.162 3.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.575 8.056 1 O4'-C1'-N19 113.621 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . 0.685 " H3'" HH21 ' P' ' 54' ' ' ARG . . . . . . . . 3 P--O5' 1.651 5.771 2 O3'-P-O5' 91.467 -6.596 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.576 4 O4'-C1'-C2' 98.113 -7.261 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.572 3.668 3 O4'-C1'-N19 115.377 9.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.448 -7.044 0 O5'-C5'-C4' 104.945 -3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.538 -5.527 3 P-O3'-C3' 129.262 7.968 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.539 -5.35 6 O4'-C1'-N19 114.103 7.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.653 3 O4'-C1'-C2' 99.67 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.646 3.254 1 P-O5'-C5' 114.396 -4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . 0.401 " O5'" " H2'" ' B' ' 92' ' ' ' DA' . . . . . . . . 2 P--O3' 1.675 5.657 3 C4'-C3'-O3' 99.51 -4.904 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.348 -8.93 1 C3'-C2'-C1' 94.304 -5.997 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.575 8.028 3 O4'-C1'-N19 114.012 7.764 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.322 0 N-CA-C 108.166 -1.974 . . . . 0.0 108.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -53.81 -26.53 39.42 Favored 'Trans proline' 0 CA--C 1.554 1.495 0 N-CA-C 118.698 2.538 . . . . 0.0 118.698 164.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.88 25.15 Favored 'General case' 0 C--O 1.252 1.209 0 C-N-CA 127.977 2.511 . . . . 0.0 105.712 166.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.426 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 45.6 tpt85 -155.95 -17.03 0.1 Allowed 'General case' 0 N--CA 1.433 -1.296 0 C-N-CA 126.571 1.948 . . . . 0.0 116.217 -170.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.3 p -143.96 -170.91 3.44 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 -169.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -23.05 0.67 Allowed 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 170.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -164.78 134.43 3.73 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.807 1.942 . . . . 0.0 109.294 -164.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 42.7 m -101.29 120.82 40.83 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.59 1.956 . . . . 0.0 106.973 165.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -72.12 177.02 4.65 Favored 'General case' 0 N--CA 1.432 -1.325 0 C-N-CA 127.354 2.261 . . . . 0.0 114.465 -170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 7.6 p -132.5 161.14 34.52 Favored 'General case' 0 C--N 1.309 -1.174 1 O-C-N 114.52 -5.113 . . . . 0.0 111.337 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -55.51 -41.06 72.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.865 -2.397 . . . . 0.0 108.961 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 28.5 m -73.22 -30.33 63.42 Favored 'General case' 0 N--CA 1.528 3.451 0 C-N-CA 115.825 -2.35 . . . . 0.0 115.679 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -60.59 -44.22 96.48 Favored 'General case' 0 N--CA 1.537 3.879 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.44 -34.14 67.5 Favored 'Isoleucine or valine' 0 C--O 1.276 2.453 0 CA-C-O 123.182 1.467 . . . . 0.0 114.43 172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.23 66.18 Favored 'General case' 0 CA--C 1.61 3.277 0 O-C-N 120.116 -1.615 . . . . 0.0 111.13 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -49.08 78.55 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.976 172.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.593 ' CD2' HD21 ' P' ' 39' ' ' LEU . 13.9 mt -65.17 -40.16 93.92 Favored 'General case' 0 C--O 1.197 -1.659 0 O-C-N 119.15 -2.219 . . . . 0.0 106.711 -168.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.99 -49.45 76.01 Favored 'General case' 0 C--O 1.259 1.605 0 O-C-N 119.306 -2.121 . . . . 0.0 109.007 173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.271 10.8 tp60 -65.26 -43.44 91.28 Favored 'General case' 0 CA--C 1.582 2.206 0 O-C-N 119.014 -2.304 . . . . 0.0 111.327 -169.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' P' ' 35' ' ' LEU . 82.9 m-70 -77.07 -33.73 57.08 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 119.199 0.909 . . . . 0.0 109.472 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -52.53 -37.34 57.39 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-O 114.506 -2.664 . . . . 0.0 110.079 166.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.301 11.0 mt -50.11 -30.49 11.19 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 121.781 2.082 . . . . 0.0 113.656 171.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -91.45 -12.07 35.74 Favored 'General case' 0 C--O 1.272 2.238 0 C-N-CA 126.852 2.061 . . . . 0.0 112.675 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.467 -2.915 0 CA-C-N 111.992 -2.367 . . . . 0.0 115.46 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -62.97 -19.77 64.61 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -173.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . 0.629 ' HA ' HH22 ' P' ' 54' ' ' ARG . 38.1 m-85 -124.14 121.65 35.71 Favored 'General case' 0 N--CA 1.432 -1.357 0 C-N-CA 130.031 3.332 . . . . 0.0 111.355 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' P' ' 47' ' ' LYS . 19.8 mt -57.17 139.56 52.19 Favored 'General case' 0 N--CA 1.405 -2.691 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.411 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 40.3 p -122.75 166.9 14.2 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.965 2.666 . . . . 0.0 108.093 164.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.279 . . -53.31 -42.01 89.28 Favored Pre-proline 0 CA--C 1.57 1.715 0 O-C-N 120.538 -1.352 . . . . 0.0 114.567 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . 0.304 1.9 Cg_endo -65.99 -42.68 10.69 Favored 'Trans proline' 0 CA--C 1.578 2.696 0 C-N-CA 123.35 2.7 . . . . 0.0 118.135 173.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.411 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -54.41 -56.79 15.08 Favored 'General case' 0 C--O 1.203 -1.377 0 C-N-CA 126.564 1.946 . . . . 0.0 107.697 174.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tt -51.1 -53.5 33.57 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 129.053 2.941 . . . . 0.0 110.177 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.6 67.41 Favored 'General case' 0 N--CA 1.522 3.132 0 C-N-CA 125.477 1.511 . . . . 0.0 110.85 -176.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' P' ' 38' ' ' LYS . 0.9 OUTLIER -64.47 -42.6 95.82 Favored 'General case' 0 C--O 1.291 3.277 0 O-C-N 125.636 1.835 . . . . 0.0 112.75 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -66.76 -38.48 86.69 Favored 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 116.637 -2.025 . . . . 0.0 115.696 170.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 31.2 t -57.72 -26.63 62.05 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 114.22 -2.8 . . . . 0.0 114.828 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.67 -51.12 15.21 Favored 'General case' 0 CA--C 1.601 2.91 0 O-C-N 127.999 3.312 . . . . 0.0 107.703 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' P' ' 34' ' ' ASP . 30.7 mtpt -83.49 -38.94 21.13 Favored 'General case' 0 C--O 1.187 -2.224 0 C-N-CA 126.608 1.963 . . . . 0.0 115.627 -167.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.2 OUTLIER -81.93 -12.75 58.24 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 117.981 -2.95 . . . . 0.0 113.989 169.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.81 74.26 0.45 Allowed 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 129.098 2.959 . . . . 0.0 114.755 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.22 172.69 8.38 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.983 0.897 . . . . 0.0 108.739 -176.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.12 145.43 46.32 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 126.075 1.798 . . . . 0.0 113.878 -175.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 8.1 p -52.02 -29.12 19.58 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 116.899 2.185 . . . . 0.0 116.899 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.2 -39.58 82.41 Favored 'General case' 0 CA--C 1.603 2.999 0 O-C-N 124.918 1.386 . . . . 0.0 114.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -59.06 -30.55 68.14 Favored 'General case' 0 CA--C 1.493 -1.249 1 O-C-N 129.44 4.213 . . . . 0.0 117.264 174.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.4 -47.24 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 CA-C-O 123.883 1.801 . . . . 0.0 106.264 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' P' ' 27' ' ' LEU . 40.2 mtmt -49.37 -50.71 38.86 Favored 'General case' 0 N--CA 1.409 -2.488 0 O-C-N 117.486 -3.259 . . . . 0.0 111.889 166.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -60.89 -47.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -61.44 -42.65 99.08 Favored 'General case' 0 CA--C 1.467 -2.213 0 CA-C-O 116.27 -1.824 . . . . 0.0 114.228 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.435 ' HD1' HH12 ' P' ' 54' ' ' ARG . 2.6 m-85 -66.79 -32.22 73.37 Favored 'General case' 0 CA--C 1.601 2.906 0 CA-C-O 127.534 3.54 . . . . 0.0 114.75 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . 0.567 ' HE3' ' N7 ' ' B' ' 85' ' ' ' DG' . 16.9 mtpt -72.2 -54.14 10.53 Favored 'General case' 0 N--CA 1.502 2.156 0 CA-C-N 110.984 -2.825 . . . . 0.0 109.629 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -69.99 -29.1 66.11 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 117.809 -3.057 . . . . 0.0 111.86 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 44.1 ttt85 -62.23 -48.5 79.7 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 114.515 -2.659 . . . . 0.0 113.619 168.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.629 HH22 ' HA ' ' P' ' 26' ' ' TYR . 39.5 mtt85 -57.0 -56.15 25.41 Favored 'General case' 0 C--O 1.251 1.139 0 CA-C-O 116.477 -1.725 . . . . 0.0 110.756 170.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -47.02 -45.79 21.47 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -48.12 80.18 Favored 'General case' 0 C--N 1.396 2.623 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -71.83 -41.37 68.25 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 125.543 1.537 . . . . 0.0 113.824 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.458 4.5 ptpt -63.65 -38.92 92.95 Favored 'General case' 0 N--CA 1.394 -3.252 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 167.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 66.4 mt -67.18 -48.37 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 C-N-CA 127.445 2.298 . . . . 0.0 110.078 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -56.82 -37.62 71.45 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 119.702 -1.874 . . . . 0.0 111.245 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m -60.81 -33.36 72.88 Favored 'General case' 0 N--CA 1.538 3.949 0 O-C-N 118.529 -2.607 . . . . 0.0 115.983 170.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.26 -42.34 72.29 Favored 'General case' 0 N--CA 1.522 3.13 0 O-C-N 125.473 1.733 . . . . 0.0 114.381 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -124.87 1.97 8.09 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 114.247 -2.787 . . . . 0.0 118.383 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.84 -2.67 0.92 Allowed 'General case' 0 N--CA 1.516 2.839 0 O-C-N 126.331 2.269 . . . . 0.0 113.348 -160.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -135.18 165.09 26.2 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 118.401 -1.32 . . . . 0.0 108.862 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.73 109.53 5.23 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 128.161 2.585 . . . . 0.0 109.352 174.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -140.0 17.4 2.46 Favored 'General case' 1 C--O 1.308 4.151 0 O-C-N 128.724 3.765 . . . . 0.0 113.161 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 1 CA--C 1.636 4.274 0 CA-C-O 114.885 -2.484 . . . . 0.0 110.748 -173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.432 -9.608 2 O4'-C4'-C3' 110.191 4.591 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.605 3 P-O3'-C3' 130.306 8.838 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.399 2 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.628 11.025 2 O4'-C1'-N19 116.522 10.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.368 -4.529 2 C1'-O4'-C4' 103.673 -4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.19 1 O4'-C1'-N19 102.703 -6.371 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.55 -4.763 3 O4'-C1'-N19 114.165 7.957 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.351 -8.672 3 O4'-C1'-C2' 99.115 -6.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.163 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.673 8.03 1 O4'-C4'-C3' 109.886 4.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.158 0 O4'-C1'-C2' 102.0 -3.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.115 6 O4'-C1'-C2' 97.926 -7.431 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.561 6.271 3 O5'-C5'-C4' 117.188 4.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.585 4.554 1 N19-C1'-C2' 121.145 4.341 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.745 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.253 3 C4'-C3'-C2' 98.607 -4.593 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.567 ' N7 ' ' HE3' ' P' ' 51' ' ' LYS . . . . . . . . 4 P--O3' 1.503 -8.678 5 P-O5'-C5' 131.712 6.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.404 ' OP1' " H4'" ' B' ' 85' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.574 7.857 3 O4'-C1'-C2' 112.433 5.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.664 4.754 3 O4'-C1'-C2' 98.075 -7.295 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.899 3 C1'-O4'-C4' 101.781 -5.657 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.584 5.632 4 O4'-C4'-C3' 110.952 5.352 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.585 9.19 1 C3'-C2'-C1' 96.298 -4.573 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.426 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 3 C4'--C3' 1.623 9.459 2 O4'-C1'-C2' 113.6 6.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.675 5.69 3 P-O3'-C3' 126.257 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.005 3 O4'-C1'-N19 115.319 9.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.014 3 O5'-C5'-C4' 118.879 6.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' P' ' 4' ' ' ARG . . . . . . . . 0 CA--C 1.55 2.273 0 N-CA-C 106.776 -2.53 . . . . 0.0 106.776 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.344 48.1 Cg_exo -35.71 -43.99 0.66 Allowed 'Trans proline' 0 N--CA 1.437 -1.817 1 C-N-CA 125.411 4.074 . . . . 0.0 116.797 171.045 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.549 ' HB3' H5'' ' A' ' 75' ' ' ' DA' . 0.7 OUTLIER -120.62 -25.16 5.58 Favored 'General case' 0 C--O 1.18 -2.596 0 C-N-CA 129.954 3.301 . . . . 0.0 114.438 175.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.48 ' HB3' ' HA3' ' P' ' 1' ' ' GLY . 64.8 ttp85 -67.96 -29.26 68.27 Favored 'General case' 0 C--N 1.368 1.397 0 CA-C-O 115.064 -2.398 . . . . 0.0 114.9 168.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -135.98 -23.21 1.35 Allowed 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 122.383 2.356 . . . . 0.0 113.508 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.299 2.0 ttp180 -128.23 22.92 6.06 Favored 'General case' 0 N--CA 1.477 0.914 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -173.519 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' P' ' 3' ' ' ARG . 27.5 m -152.77 134.93 14.91 Favored 'General case' 0 C--O 1.19 -2.062 0 C-N-CA 127.867 2.467 . . . . 0.0 112.666 166.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m -125.47 120.83 32.06 Favored 'General case' 0 C--O 1.26 1.631 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 164.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -73.88 162.93 28.58 Favored 'General case' 0 CA--C 1.482 -1.64 2 CA-C-N 127.583 4.72 . . . . 0.0 110.899 177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 37.9 p -118.52 176.5 5.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.779 1.924 . . . . 0.0 111.748 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 6.9 m -67.51 -42.02 83.52 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 125.035 1.334 . . . . 0.0 113.361 168.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 14.5 m -58.1 -50.0 74.98 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 116.066 -1.921 . . . . 0.0 106.835 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.98 -49.93 75.74 Favored 'General case' 0 CA--C 1.602 2.958 0 O-C-N 124.799 1.312 . . . . 0.0 112.624 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -51.93 -32.4 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.574 0 O-C-N 125.586 1.804 . . . . 0.0 114.917 172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.5 11.9 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.67 1.588 . . . . 0.0 112.393 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -41.96 80.49 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 125.786 1.929 . . . . 0.0 109.111 172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.444 ' CD2' HD21 ' P' ' 39' ' ' LEU . 17.5 mt -61.71 -50.38 72.67 Favored 'General case' 0 C--N 1.382 1.995 0 CA-C-O 113.082 -3.342 . . . . 0.0 106.066 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -57.63 -41.19 80.85 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 126.113 2.133 . . . . 0.0 115.74 170.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -63.25 -42.62 99.21 Favored 'General case' 0 CA--C 1.487 -1.455 0 O-C-N 118.532 -2.605 . . . . 0.0 117.83 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.58 ' CD2' HD11 ' P' ' 35' ' ' LEU . 94.5 m-70 -80.94 -40.0 25.21 Favored 'General case' 0 N--CA 1.519 3.02 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' P' ' 25' ' ' ARG . 8.6 t80 -47.04 -39.61 13.17 Favored 'General case' 0 N--CA 1.525 3.276 0 O-C-N 117.706 -3.121 . . . . 0.0 107.73 167.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 54.9 mt -58.7 -30.38 67.37 Favored 'General case' 0 CA--C 1.593 2.603 1 O-C-N 115.398 -4.563 . . . . 0.0 109.411 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -80.1 -25.99 39.73 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 127.116 3.341 . . . . 0.0 116.629 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.9 100.15 0.16 Allowed Glycine 0 N--CA 1.484 1.893 0 C-N-CA 129.262 3.315 . . . . 0.0 114.142 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . 0.537 ' HA ' ' CD2' ' P' ' 21' ' ' PHE . 0.1 OUTLIER -58.52 -7.13 0.83 Allowed 'General case' 0 C--O 1.247 0.938 0 C-N-CA 129.573 3.149 . . . . 0.0 117.622 -179.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -137.96 144.79 41.35 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 125.629 1.831 . . . . 0.0 108.865 -171.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' P' ' 32' ' ' LEU . 8.1 mt -81.9 159.0 23.76 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 30.6 p -154.25 158.87 40.89 Favored 'General case' 0 N--CA 1.443 -0.804 1 C-N-CA 133.854 4.862 . . . . 0.0 105.284 169.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.86 -42.18 67.49 Favored Pre-proline 0 N--CA 1.438 -1.065 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 49.9 Cg_endo -63.72 -40.16 30.75 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 115.443 -2.571 . . . . 0.0 116.827 170.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -53.32 56.56 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 125.526 1.53 . . . . 0.0 109.479 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' P' ' 27' ' ' LEU . 2.8 tp -53.22 -44.2 67.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 128.752 2.821 . . . . 0.0 114.88 176.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 -50.62 43.91 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 127.566 2.346 . . . . 0.0 110.727 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.21 -50.19 62.41 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 119.154 -2.216 . . . . 0.0 112.745 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.58 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -73.22 -40.95 64.31 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 116.692 -1.623 . . . . 0.0 108.041 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 93.6 p -48.71 -39.39 24.54 Favored 'General case' 0 C--O 1.266 1.923 0 C-N-CA 115.004 -2.679 . . . . 0.0 115.76 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -44.28 61.34 Favored 'General case' 0 N--CA 1.515 2.79 0 CA-C-O 115.781 -2.057 . . . . 0.0 112.418 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -71.93 -52.53 16.75 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 129.908 3.283 . . . . 0.0 107.064 -172.047 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' P' ' 17' ' ' LEU . 0.5 OUTLIER -69.06 -25.86 64.67 Favored 'General case' 0 N--CA 1.518 2.942 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.816 179.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 66.4 60.37 0.61 Allowed 'General case' 0 N--CA 1.41 -2.473 1 C-N-CA 132.265 4.226 . . . . 0.0 112.879 -176.842 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.44 165.47 35.62 Favored 'General case' 0 C--O 1.191 -2.019 0 C-N-CA 128.251 2.62 . . . . 0.0 112.605 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.46 144.3 25.6 Favored Glycine 1 N--CA 1.394 -4.12 1 O-C-N 129.126 4.016 . . . . 0.0 111.055 -174.58 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 22.5 p -55.52 -40.25 71.57 Favored 'General case' 0 C--N 1.281 -2.378 0 O-C-N 120.578 -1.542 . . . . 0.0 113.703 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.02 -35.04 59.0 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 171.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -67.22 -38.89 86.01 Favored 'General case' 0 N--CA 1.393 -3.314 0 CA-C-O 121.72 0.772 . . . . 0.0 111.728 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.26 -44.41 95.03 Favored 'Isoleucine or valine' 0 C--O 1.251 1.184 0 C-N-CA 124.949 1.3 . . . . 0.0 108.191 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.495 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.7 OUTLIER -56.02 -43.28 77.59 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 114.488 -2.673 . . . . 0.0 116.639 164.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.69 -29.23 40.35 Favored 'Isoleucine or valine' 0 C--N 1.388 2.27 0 CA-C-N 121.275 1.852 . . . . 0.0 107.385 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -72.03 -56.82 4.96 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 125.142 1.526 . . . . 0.0 108.192 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.0 -46.35 71.74 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 115.227 -2.32 . . . . 0.0 111.536 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -62.96 -57.34 11.07 Favored 'General case' 0 N--CA 1.425 -1.722 0 O-C-N 126.001 2.063 . . . . 0.0 109.975 -171.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -60.19 -31.4 70.11 Favored 'General case' 0 CA--C 1.568 1.664 0 O-C-N 124.792 1.307 . . . . 0.0 108.838 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -65.59 -52.22 53.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 117.805 -3.059 . . . . 0.0 110.298 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -54.28 -56.21 20.68 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 126.929 2.092 . . . . 0.0 106.692 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.495 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 3.5 tpt180 -62.07 -46.82 87.42 Favored 'General case' 0 C--N 1.408 3.12 0 CA-C-O 116.516 -1.707 . . . . 0.0 109.121 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -64.03 -33.82 76.61 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 119.952 1.251 . . . . 0.0 111.696 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -64.01 -52.89 57.39 Favored 'General case' 0 C--N 1.314 -0.975 0 C-N-CA 123.686 0.794 . . . . 0.0 110.426 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' P' ' 55' ' ' ARG 0.33 5.9 ptpt -54.38 -49.8 69.0 Favored 'General case' 0 CA--C 1.595 2.683 0 N-CA-C 118.664 2.838 . . . . 0.0 118.664 172.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 64.2 mt -51.52 -57.87 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 C-N-CA 128.42 2.688 . . . . 0.0 111.184 172.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.43 -30.32 69.56 Favored 'General case' 0 CA--C 1.588 2.414 0 C-N-CA 116.768 -1.973 . . . . 0.0 114.059 175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m -67.89 -37.84 82.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.407 -0.808 . . . . 0.0 111.661 176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.49 -24.24 64.66 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 116.706 -1.616 . . . . 0.0 114.645 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -90.15 -32.38 16.67 Favored 'General case' 0 N--CA 1.515 2.82 0 C-N-CA 125.535 1.534 . . . . 0.0 112.087 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -124.9 -13.01 6.98 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.583 2.753 . . . . 0.0 114.338 -166.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.293 17.6 ttmt -136.39 -17.28 1.55 Allowed 'General case' 0 N--CA 1.487 1.388 1 N-CA-C 122.548 4.277 . . . . 0.0 122.548 -178.687 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.01 -23.61 66.54 Favored 'General case' 0 N--CA 1.538 3.966 0 CA-C-O 126.24 2.924 . . . . 0.0 112.263 173.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . 0.474 ' NE2' ' H ' ' P' ' 68' ' ' SER 0.262 69.5 tp60 -146.77 163.48 35.85 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 117.489 -3.257 . . . . 0.0 111.213 177.584 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . 0.474 ' H ' ' NE2' ' P' ' 67' ' ' GLN . 2.5 m . . . . . 0 N--CA 1.517 2.884 0 CA-C-O 122.475 1.131 . . . . 0.0 111.507 -176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.567 7.0 3 O4'-C1'-N19 112.578 5.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.527 -6.56 4 O4'-C4'-C3' 111.818 6.218 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.653 1 N19-C1'-C2' 107.131 -4.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.574 4.61 2 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.076 4 O4'-C1'-N19 100.505 -9.118 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.365 -7.354 3 P-O3'-C3' 127.965 6.888 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . 0.549 H5'' ' HB3' ' P' ' 3' ' ' ARG . . . . . . . . 7 C5'--C4' 1.567 7.035 2 C5'-C4'-C3' 121.651 4.634 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.705 1 P-O3'-C3' 125.767 5.056 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.239 2 O5'-C5'-C4' 122.68 8.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.567 3 P-O3'-C3' 127.901 6.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.365 -5.106 1 P-O3'-C3' 127.124 6.187 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.591 10.042 5 O4'-C1'-N19 111.941 5.177 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.526 -6.718 6 O4'-C1'-N19 117.625 12.282 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.371 -6.805 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.59 4.944 2 O4'-C1'-N19 114.291 8.114 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.799 4 O4'-C4'-C3' 100.222 -5.378 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.727 1 O4'-C1'-N19 113.827 7.534 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.546 -5.111 3 O3'-P-O5' 93.041 -5.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.767 2 O5'-C5'-C4' 118.985 6.275 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . 0.462 " C2'" ' H71' ' B' ' 89' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.577 8.193 2 O4'-C1'-N19 112.281 5.601 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . 0.462 ' H71' " C2'" ' B' ' 88' ' ' ' DT' . . . . . . . . 2 C3'--C2' 1.574 5.646 1 O5'-C5'-C4' 117.449 5.178 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.122 3 O4'-C1'-N19 103.523 -5.346 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.39 -5.089 1 O4'-C4'-C3' 111.278 5.678 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.252 1 P-O3'-C3' 127.185 6.238 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.581 6.25 3 P-O3'-C3' 127.763 6.719 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.532 -6.26 4 O4'-C4'-C3' 113.071 7.471 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.296 4.021 0 CA-C-O 117.747 -1.585 . . . . 0.0 109.719 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.305 37.3 Cg_endo -59.73 -34.8 95.93 Favored 'Trans proline' 0 C--N 1.386 2.523 0 O-C-N 126.416 2.798 . . . . 0.0 118.671 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -111.39 -16.69 13.29 Favored 'General case' 0 C--O 1.197 -1.677 0 O-C-N 125.507 1.754 . . . . 0.0 113.634 -170.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -47.46 -18.33 0.12 Allowed 'General case' 0 C--O 1.255 1.381 0 N-CA-C 117.711 2.485 . . . . 0.0 117.711 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -150.64 170.75 18.43 Favored 'General case' 0 N--CA 1.395 -3.179 0 C-N-CA 127.649 2.38 . . . . 0.0 111.424 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 62.23 -15.53 0.05 Allowed 'General case' 1 C--O 1.309 4.188 0 N-CA-C 119.742 3.238 . . . . 0.0 119.742 171.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -148.18 140.76 24.49 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 129.814 3.245 . . . . 0.0 112.133 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.01 19.45 1.61 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 57.33 174.85 0.05 OUTLIER 'General case' 0 N--CA 1.403 -2.79 1 C-N-CA 132.812 4.445 . . . . 0.0 115.876 -167.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 8.2 p -140.46 161.41 37.78 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 116.496 -3.878 . . . . 0.0 111.932 164.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -49.43 -38.63 30.0 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 174.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 51.4 m -74.23 -27.32 60.72 Favored 'General case' 0 CA--C 1.593 2.613 0 C-N-CA 127.631 2.372 . . . . 0.0 114.856 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -72.89 -51.14 19.78 Favored 'General case' 0 CA--C 1.449 -2.917 0 C-N-CA 129.577 3.151 . . . . 0.0 112.429 166.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.6 -34.72 47.99 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-N 123.486 2.857 . . . . 0.0 111.969 166.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.5 91.51 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 117.236 -3.415 . . . . 0.0 113.667 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -69.9 -41.9 74.1 Favored 'General case' 0 CA--C 1.549 0.936 1 CA-C-O 110.969 -4.348 . . . . 0.0 105.574 173.437 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.578 HD21 HG13 ' P' ' 46' ' ' VAL . 11.3 mt -63.79 -41.15 97.99 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 127.798 3.186 . . . . 0.0 111.029 -171.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.525 ' CD ' HH12 ' P' ' 53' ' ' ARG . 49.7 mm-40 -54.93 -53.59 53.63 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 131.649 3.98 . . . . 0.0 114.197 169.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -61.03 -46.13 91.97 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.452 ' HB2' HD11 ' P' ' 35' ' ' LEU . 92.7 m-70 -78.38 -26.15 46.45 Favored 'General case' 0 N--CA 1.423 -1.797 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' P' ' 25' ' ' ARG . 2.4 t80 -56.47 -30.06 62.47 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.1 162.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 39.2 mt -54.23 -37.15 64.31 Favored 'General case' 0 CA--C 1.582 2.178 0 CA-C-N 122.599 2.454 . . . . 0.0 109.722 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -81.67 -8.96 59.76 Favored 'General case' 0 CA--C 1.562 1.427 0 C-N-CA 127.523 2.329 . . . . 0.0 110.884 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.53 109.93 0.34 Allowed Glycine 0 N--CA 1.498 2.82 1 O-C-N 113.413 -5.804 . . . . 0.0 111.887 -175.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' P' ' 21' ' ' PHE . 23.4 mmt180 -66.49 -16.34 64.05 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 117.572 -3.31 . . . . 0.0 112.671 -170.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . 0.4 ' HA ' ' CD1' ' P' ' 50' ' ' PHE 0.388 0.0 OUTLIER -151.74 179.91 8.0 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 117.175 -1.393 . . . . 0.0 110.47 -179.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.45 HD11 ' HG3' ' P' ' 47' ' ' LYS 0.4 0.1 OUTLIER -136.07 172.3 13.21 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 121.014 3.709 . . . . 0.0 121.014 -169.582 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . 0.276 68.6 p -157.65 167.06 31.19 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 131.502 3.921 . . . . 0.0 107.259 -165.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.86 87.48 Favored Pre-proline 0 C--O 1.257 1.468 0 CA-C-O 112.604 -3.569 . . . . 0.0 119.724 -177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -62.09 -38.16 58.56 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 CA-C-N 122.809 2.039 . . . . 0.0 112.842 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.89 -62.57 1.43 Allowed 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 117.139 -3.476 . . . . 0.0 107.501 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.31 -47.24 25.55 Favored 'General case' 0 N--CA 1.388 -3.538 0 C-N-CA 129.731 3.212 . . . . 0.0 111.008 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.07 62.1 Favored 'General case' 0 N--CA 1.42 -1.957 0 C-N-CA 128.423 2.689 . . . . 0.0 116.717 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.2 -51.14 62.87 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.6 OUTLIER -56.86 -45.15 82.63 Favored 'General case' 0 N--CA 1.398 -3.042 0 O-C-N 119.494 -2.004 . . . . 0.0 114.834 161.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' P' ' 43' ' ' THR . 77.8 p -50.74 -52.01 44.6 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-N 123.164 2.711 . . . . 0.0 112.539 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.14 -31.33 65.89 Favored 'General case' 0 N--CA 1.402 -2.874 0 O-C-N 126.07 2.106 . . . . 0.0 114.517 -175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . 0.446 ' HE3' ' OE2' ' P' ' 16' ' ' GLU 0.27 3.1 ttpt -78.23 -50.16 12.41 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 122.332 2.333 . . . . 0.0 115.952 170.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' P' ' 16' ' ' GLU . 0.0 OUTLIER -63.17 -21.97 66.56 Favored 'General case' 0 CA--C 1.58 2.131 0 O-C-N 119.452 -2.03 . . . . 0.0 113.521 175.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.58 51.04 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.001 0 C-N-CA 131.399 3.879 . . . . 0.0 114.676 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.88 -175.52 4.71 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 126.172 1.789 . . . . 0.0 115.689 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.8 134.89 46.8 Favored Glycine 0 CA--C 1.541 1.717 0 C-N-CA 127.2 2.333 . . . . 0.0 114.678 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' P' ' 36' ' ' SER . 5.3 p -43.52 -49.95 7.27 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 129.521 3.129 . . . . 0.0 109.66 170.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.72 -41.8 44.49 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -33.84 76.53 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.937 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.578 HG13 HD21 ' P' ' 17' ' ' LEU . 2.3 t -65.1 -53.05 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' P' ' 27' ' ' LEU . 0.1 OUTLIER -49.29 -48.2 46.33 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 119.068 -2.27 . . . . 0.0 114.781 175.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 73.8 mt -62.7 -36.11 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.312 0 CA-C-N 119.369 0.986 . . . . 0.0 111.654 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -56.22 -55.86 28.01 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' P' ' 26' ' ' TYR 0.329 80.4 m-85 -54.81 -54.34 43.49 Favored 'General case' 0 N--CA 1.387 -3.616 0 C-N-CA 127.345 2.258 . . . . 0.0 111.222 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -52.24 -51.28 59.3 Favored 'General case' 0 C--O 1.203 -1.388 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.693 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.26 -34.03 76.56 Favored 'General case' 0 CA--C 1.586 2.331 0 O-C-N 117.155 -3.465 . . . . 0.0 112.436 176.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.525 HH12 ' CD ' ' P' ' 18' ' ' GLU . 16.1 ttt85 -53.48 -47.8 69.48 Favored 'General case' 0 N--CA 1.511 2.61 0 O-C-N 116.424 -3.922 . . . . 0.0 111.939 169.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.253 1.9 mmt180 -66.49 -48.8 68.68 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.512 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 37.5 mmm-85 -56.44 -53.33 58.74 Favored 'General case' 0 CA--C 1.572 1.825 0 O-C-N 119.59 -1.944 . . . . 0.0 107.751 174.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -56.85 -49.74 74.55 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.259 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -65.38 -49.14 70.43 Favored 'General case' 0 CA--C 1.593 2.626 0 C-N-CA 126.77 2.028 . . . . 0.0 107.496 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.509 0.2 OUTLIER -53.34 -37.45 62.35 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 118.631 -2.543 . . . . 0.0 116.649 175.058 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 59.1 mt -72.0 -47.6 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-N 110.754 -2.93 . . . . 0.0 111.773 175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.74 -34.1 57.87 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 118.135 2.642 . . . . 0.0 118.135 164.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -71.21 -47.77 55.41 Favored 'General case' 0 C--N 1.277 -2.548 0 CA-C-O 123.982 1.849 . . . . 0.0 113.625 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -26.8 67.96 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 171.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -88.22 -25.14 23.04 Favored 'General case' 0 C--N 1.411 3.248 0 C-N-CA 126.799 2.039 . . . . 0.0 112.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.408 2.7 t60 55.62 23.44 6.12 Favored 'General case' 0 N--CA 1.518 2.934 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 171.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -84.98 22.31 1.43 Allowed 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 125.556 1.542 . . . . 0.0 110.496 -173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -82.75 165.77 19.63 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -147.79 146.87 29.33 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 125.83 1.652 . . . . 0.0 108.13 168.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--O 1.276 2.472 0 C-N-CA 129.458 3.103 . . . . 0.0 112.797 162.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.484 -4.418 0 O4'-C1'-N19 104.662 -3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.712 3 O4'-C1'-C2' 100.051 -5.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.372 -4.271 7 O4'-C4'-C3' 112.166 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.63 11.164 1 C4'-C3'-O3' 101.328 -4.078 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.623 9.496 5 O4'-C1'-N19 100.735 -8.831 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.525 -6.794 2 O4'-C1'-N19 100.349 -9.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.555 -4.348 3 C4'-C3'-C2' 95.686 -7.514 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.554 -3.911 3 P-O3'-C3' 126.429 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.663 7.014 1 O4'-C1'-N19 113.329 6.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.58 6.166 1 C5'-C4'-O4' 121.865 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.098 3 O4'-C1'-N19 115.905 10.131 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.594 7.572 2 P-O3'-C3' 129.229 7.941 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--OP2 1.419 -3.89 2 C3'-C2'-C1' 95.973 -4.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.728 3 O4'-C1'-N19 112.794 6.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . 0.439 " H1'" ' C8 ' ' B' ' 84' ' ' ' DG' . . . . . . . . 3 C4'--C3' 1.586 5.785 1 O4'-C1'-C2' 112.56 5.873 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . 0.439 ' C8 ' " H1'" ' B' ' 83' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.334 -7.488 4 O5'-C5'-C4' 119.667 6.762 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.512 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 2 C4'--C3' 1.604 7.635 3 O4'-C1'-N19 116.577 10.971 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.603 7.544 2 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.207 0 C1'-O4'-C4' 114.248 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.547 -4.6 3 O5'-C5'-C4' 119.07 6.336 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C4'--C3' 1.582 5.436 3 O4'-C4'-C3' 110.814 5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.59 9.892 1 O3'-P-O5' 94.628 -4.932 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.359 -4.719 4 O5'-C5'-C4' 121.533 8.095 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.712 0 O4'-C1'-N19 104.862 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.882 3 P-O3'-C3' 126.1 5.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.87 0 C1'-O4'-C4' 105.432 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.411 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.291 33.1 Cg_exo -42.56 -41.01 7.88 Favored 'Trans proline' 0 C--N 1.407 3.654 1 C-N-CA 126.456 4.771 . . . . 0.0 116.938 -177.003 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -59.8 -28.7 67.67 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 118.609 -2.557 . . . . 0.0 116.999 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 12.4 mtm105 -111.77 -28.83 7.93 Favored 'General case' 0 CA--C 1.582 2.185 0 C-N-CA 123.57 0.748 . . . . 0.0 110.58 -162.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 3.5 t -154.47 -157.54 0.77 Allowed 'General case' 0 C--O 1.257 1.475 0 C-N-CA 126.103 1.761 . . . . 0.0 114.91 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -50.97 142.74 11.41 Favored 'General case' 0 N--CA 1.51 2.544 0 CA-C-O 116.272 -1.823 . . . . 0.0 114.199 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . 0.447 HG22 ' N ' ' P' ' 8' ' ' THR . 60.5 m 101.1 146.68 0.01 OUTLIER 'General case' 0 N--CA 1.522 3.167 1 C-N-CA 131.986 4.115 . . . . 0.0 110.54 -168.27 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . 0.447 ' N ' HG22 ' P' ' 7' ' ' THR . 13.2 m -154.73 109.61 3.04 Favored 'General case' 0 N--CA 1.517 2.888 0 CA-C-O 114.757 -2.544 . . . . 0.0 106.426 170.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.43 149.85 41.48 Favored 'General case' 0 C--O 1.287 3.048 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 44.9 p -120.4 170.69 9.13 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 124.89 1.369 . . . . 0.0 110.163 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -61.62 -40.59 95.4 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-O 115.883 -2.008 . . . . 0.0 110.77 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -49.27 -50.29 39.68 Favored 'General case' 0 N--CA 1.522 3.168 0 O-C-N 126.393 2.308 . . . . 0.0 114.81 168.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -61.55 -47.32 86.08 Favored 'General case' 0 CA--C 1.571 1.761 0 CA-C-O 114.565 -2.636 . . . . 0.0 110.873 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -63.84 -27.66 43.33 Favored 'Isoleucine or valine' 0 C--O 1.17 -3.131 0 O-C-N 127.294 2.871 . . . . 0.0 112.035 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.74 72.4 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 125.72 1.887 . . . . 0.0 110.298 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -55.25 -55.73 28.03 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 168.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.632 ' HG ' HD21 ' P' ' 39' ' ' LEU . 5.1 mt -62.82 -40.39 97.25 Favored 'General case' 0 N--CA 1.415 -2.185 0 CA-C-N 118.569 0.622 . . . . 0.0 110.511 -169.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -65.57 -46.66 78.6 Favored 'General case' 0 N--CA 1.511 2.598 0 CA-C-O 116.637 -1.649 . . . . 0.0 113.849 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -66.65 -44.91 80.66 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 119.945 1.248 . . . . 0.0 112.611 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.448 ' CD2' HD13 ' P' ' 35' ' ' LEU 0.281 73.2 m-70 -65.95 -31.4 72.3 Favored 'General case' 0 CA--C 1.597 2.775 0 CA-C-O 123.758 1.742 . . . . 0.0 113.314 168.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.2 OUTLIER -61.99 -27.48 68.89 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 119.252 -2.155 . . . . 0.0 116.228 168.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.04 -29.39 57.32 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 124.208 0.943 . . . . 0.0 108.815 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -85.08 -15.27 44.54 Favored 'General case' 0 N--CA 1.515 2.812 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.39 130.93 2.06 Favored Glycine 0 C--N 1.392 3.681 0 CA-C-O 115.426 -2.875 . . . . 0.0 117.116 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -77.47 -16.36 58.8 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.273 1.429 . . . . 0.0 113.537 -172.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.32 -171.69 2.52 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 117.715 -1.136 . . . . 0.0 113.131 173.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 157.59 17.82 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 119.392 3.108 . . . . 0.0 119.392 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.497 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 34.5 p -150.35 169.44 21.4 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 112.564 -2.107 . . . . 0.0 109.896 159.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -54.4 -47.0 98.88 Favored Pre-proline 0 CA--C 1.563 1.464 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 11.1 Cg_endo -55.88 -49.94 14.01 Favored 'Trans proline' 0 N--CA 1.484 0.915 1 O-C-N 128.934 4.123 . . . . 0.0 111.215 171.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.497 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.2 OUTLIER -49.92 -55.69 13.48 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 124.413 2.054 . . . . 0.0 116.332 173.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.507 HD23 ' C ' ' P' ' 32' ' ' LEU . 2.1 tt -49.34 -59.33 3.8 Favored 'General case' 0 C--O 1.256 1.398 0 C-N-CA 128.597 2.759 . . . . 0.0 108.782 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.92 -36.46 69.97 Favored 'General case' 0 C--O 1.268 2.07 0 CA-C-O 116.094 -1.908 . . . . 0.0 114.016 -172.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -59.34 -46.05 89.69 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-O 124.824 2.25 . . . . 0.0 115.208 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' P' ' 20' ' ' HIS . 0.5 OUTLIER -74.37 -40.81 61.86 Favored 'General case' 0 CA--C 1.485 -1.552 0 O-C-N 118.687 -2.508 . . . . 0.0 110.799 172.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.9 t -55.44 -43.78 75.72 Favored 'General case' 0 N--CA 1.486 1.345 1 O-C-N 116.157 -4.089 . . . . 0.0 113.418 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.97 83.86 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.766 172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -61.25 -58.63 7.52 Favored 'General case' 0 C--N 1.36 1.054 1 C-N-CA 133.626 4.77 . . . . 0.0 114.396 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.632 HD21 ' HG ' ' P' ' 17' ' ' LEU . 31.6 mt -59.06 -17.89 30.02 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 165.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.262 . . 47.31 54.63 9.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -166.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -125.5 160.24 29.99 Favored 'General case' 0 N--CA 1.434 -1.27 0 O-C-N 125.443 1.714 . . . . 0.0 112.822 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.1 155.03 53.21 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 113.501 -1.681 . . . . 0.0 110.081 172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 32' ' ' LEU 0.257 41.3 p -71.78 -40.61 69.12 Favored 'General case' 0 C--O 1.292 3.334 0 CA-C-O 123.898 1.809 . . . . 0.0 111.366 -165.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.39 -44.76 12.21 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.377 -1.283 . . . . 0.0 112.986 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.52 -33.91 68.57 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' P' ' 17' ' ' LEU 0.263 2.4 t -74.56 -50.2 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.827 0 O-C-N 120.602 -1.311 . . . . 0.0 108.172 -177.131 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -49.72 65.25 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 122.182 2.264 . . . . 0.0 115.4 166.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.22 -51.21 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 114.626 -2.606 . . . . 0.0 106.429 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -56.75 -49.95 73.72 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 122.416 2.371 . . . . 0.0 114.546 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -58.32 -58.23 9.41 Favored 'General case' 0 N--CA 1.413 -2.315 0 O-C-N 119.305 -2.122 . . . . 0.0 108.249 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -51.59 -50.22 60.59 Favored 'General case' 0 CA--C 1.542 0.651 1 O-C-N 116.043 -4.16 . . . . 0.0 108.723 -176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.294 59.4 t30 -69.95 -39.16 76.2 Favored 'General case' 0 C--O 1.192 -1.971 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.462 -176.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -60.96 -27.3 68.16 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 114.819 -2.515 . . . . 0.0 115.25 166.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' P' ' 54' ' ' ARG . 0.4 OUTLIER -69.78 -43.72 71.57 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 114.609 -2.615 . . . . 0.0 107.222 167.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.494 ' HD3' H2'' ' B' ' 85' ' ' ' DG' . 48.1 mmm-85 -64.85 -51.51 61.69 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 123.065 2.666 . . . . 0.0 111.075 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -44.18 72.85 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.227 1.376 . . . . 0.0 113.422 171.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -62.42 -50.76 70.21 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' P' ' 54' ' ' ARG . 0.4 OUTLIER -72.09 -29.38 64.05 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 119.443 -2.035 . . . . 0.0 112.125 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 34.3 mt -70.63 -47.16 66.06 Favored 'Isoleucine or valine' 0 C--O 1.276 2.471 0 C-N-CA 126.131 1.772 . . . . 0.0 106.552 173.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.8 -25.57 68.24 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-O 124.377 2.037 . . . . 0.0 112.196 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -83.08 -21.36 33.74 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.176 -1.375 . . . . 0.0 109.027 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.24 -10.06 59.75 Favored 'General case' 0 C--O 1.183 -2.411 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -70.12 90.56 0.67 Allowed 'General case' 0 N--CA 1.532 3.661 0 O-C-N 124.105 0.878 . . . . 0.0 111.378 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -147.42 152.21 37.75 Favored 'General case' 0 C--N 1.379 1.889 0 C-N-CA 128.089 2.556 . . . . 0.0 113.984 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 tttm 64.8 -179.74 0.18 Allowed 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 130.96 3.704 . . . . 0.0 115.567 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.39 8.5 m-20 47.29 67.39 0.81 Allowed 'General case' 0 N--CA 1.517 2.907 0 CA-C-O 124.728 2.204 . . . . 0.0 113.665 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -151.51 -174.23 4.77 Favored 'General case' 0 CA--C 1.566 1.569 0 C-N-CA 128.578 2.751 . . . . 0.0 108.284 -166.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 130.638 3.575 . . . . 0.0 112.596 -178.559 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.546 2 C4'-C3'-C2' 98.293 -4.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.289 3 O5'-C5'-C4' 119.178 6.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.449 -5.136 5 O4'-C1'-N19 112.395 5.743 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O5'--C5' 1.342 -6.123 2 O4'-C1'-N19 114.492 8.365 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.559 4.063 2 N19-C1'-C2' 121.717 4.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.581 5 O4'-C1'-N19 101.213 -8.234 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.671 7.755 1 C5'-C4'-O4' 119.327 6.205 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.709 2 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.196 4 O4'-C1'-N19 113.378 6.972 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.566 6.857 1 O5'-C5'-C4' 119.782 6.844 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.579 8.466 5 O4'-C1'-N19 112.994 6.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.644 5.117 2 C4'-C3'-C2' 97.774 -5.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.464 -5.839 2 O4'-C1'-N19 114.504 8.38 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.775 1 N19-C1'-C2' 123.562 5.851 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.346 2 O4'-C1'-N19 113.256 6.82 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.556 5.629 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.494 H2'' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 2 C5'--C4' 1.561 6.307 2 O4'-C1'-N19 114.124 7.905 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.573 7.8 5 O4'-C1'-C2' 112.622 5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.324 3 C3'-C2'-C1' 93.169 -6.808 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.564 4.65 2 O3'-P-O5' 89.891 -7.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 2.763 2 O4'-C1'-N19 97.162 -13.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.682 8.864 1 P-O3'-C3' 127.169 6.225 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.379 -6.089 1 N19-C1'-C2' 123.977 6.111 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.538 -5.777 2 O4'-C1'-N19 114.265 8.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.064 2 C5'-C4'-O4' 117.09 4.806 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.549 -4.868 2 C4'-C3'-C2' 107.931 4.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.501 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -53.22 -22.42 19.87 Favored 'Trans proline' 0 CA--C 1.486 -1.903 1 C-N-CA 125.46 4.106 . . . . 0.0 113.993 -168.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -54.88 -17.26 3.4 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 117.383 2.364 . . . . 0.0 117.383 167.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -62.1 155.71 23.48 Favored 'General case' 0 C--O 1.266 1.932 0 O-C-N 124.741 1.275 . . . . 0.0 108.82 -163.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.5 t -130.07 -177.59 4.37 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 117.321 -1.752 . . . . 0.0 109.55 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -138.48 141.29 39.43 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.354 -1.466 . . . . 0.0 107.29 -173.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -158.23 121.88 3.99 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 30.5 m -84.0 96.69 8.94 Favored 'General case' 0 N--CA 1.482 1.165 1 C-N-CA 131.76 4.024 . . . . 0.0 112.702 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -62.23 165.5 5.8 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 118.473 2.768 . . . . 0.0 118.473 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.2 p -135.69 153.92 51.44 Favored 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 127.201 2.2 . . . . 0.0 105.269 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -51.74 -42.08 62.05 Favored 'General case' 0 N--CA 1.494 1.771 1 O-C-N 129.878 4.486 . . . . 0.0 112.135 170.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 62.9 m -64.56 -34.77 79.01 Favored 'General case' 0 C--O 1.182 -2.489 0 C-N-CA 127.491 2.316 . . . . 0.0 111.337 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.416 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 71.4 mt-30 -68.07 -48.91 64.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.17 2.188 . . . . 0.0 112.483 171.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -65.38 -39.3 84.83 Favored 'Isoleucine or valine' 0 C--O 1.272 2.252 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.668 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.08 62.14 Favored 'General case' 0 N--CA 1.414 -2.271 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.78 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -62.38 -50.05 73.1 Favored 'General case' 0 N--CA 1.505 2.307 0 CA-C-N 121.519 1.963 . . . . 0.0 109.606 -176.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.87 -40.25 83.81 Favored 'General case' 0 N--CA 1.393 -3.315 0 CA-C-O 114.974 -2.441 . . . . 0.0 114.02 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -55.24 -49.41 72.08 Favored 'General case' 0 N--CA 1.404 -2.774 0 C-N-CA 126.481 1.912 . . . . 0.0 111.269 162.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . 0.346 32.7 mm-40 -43.18 -53.07 5.25 Favored 'General case' 0 C--N 1.371 1.539 0 O-C-N 117.278 -3.389 . . . . 0.0 118.394 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.503 ' CD2' HD11 ' P' ' 35' ' ' LEU . 88.8 m-70 -81.83 -34.32 30.25 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 119.059 -0.496 . . . . 0.0 111.267 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -31.62 52.1 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 167.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.18 -38.85 68.87 Favored 'General case' 0 N--CA 1.528 3.446 0 CA-C-O 116.487 -1.72 . . . . 0.0 112.823 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -81.18 -16.12 53.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.932 2.093 . . . . 0.0 111.403 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.63 71.88 0.2 Allowed Glycine 0 CA--C 1.546 2.011 0 O-C-N 119.034 -2.291 . . . . 0.0 113.345 -166.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 -57.57 -15.38 7.15 Favored 'General case' 0 CA--C 1.586 2.347 0 O-C-N 128.408 3.064 . . . . 0.0 115.859 -163.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -127.23 132.58 50.37 Favored 'General case' 0 CA--C 1.487 -1.471 0 C-N-CA 125.234 1.414 . . . . 0.0 112.828 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' P' ' 47' ' ' LYS . 15.6 mt -66.98 162.56 21.74 Favored 'General case' 0 N--CA 1.437 -1.122 1 CA-C-O 128.608 4.051 . . . . 0.0 113.537 -179.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -146.91 164.69 32.11 Favored 'General case' 0 N--CA 1.43 -1.445 1 CA-C-N 107.246 -4.525 . . . . 0.0 106.972 166.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.38 -43.83 25.19 Favored Pre-proline 0 C--O 1.262 1.721 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.52 -54.87 0.84 Allowed 'Trans proline' 1 N--CA 1.397 -4.186 0 C-N-CA 123.697 2.932 . . . . 0.0 106.848 175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -54.37 45.22 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.75 -176.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' P' ' 43' ' ' THR 0.267 0.6 OUTLIER -56.15 -51.75 66.87 Favored 'General case' 1 C--O 1.143 -4.501 0 O-C-N 126.189 2.181 . . . . 0.0 111.998 -175.912 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.22 79.26 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.252 1.821 . . . . 0.0 111.589 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.5 -48.5 77.06 Favored 'General case' 0 CA--C 1.569 1.683 0 CA-C-N 119.807 1.185 . . . . 0.0 109.833 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.503 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.2 OUTLIER -63.67 -40.88 97.93 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 118.088 -0.958 . . . . 0.0 112.503 170.138 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -56.97 -39.12 74.02 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-O 126.373 2.987 . . . . 0.0 113.565 -175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.24 -46.81 63.69 Favored 'General case' 0 CA--C 1.582 2.175 0 CA-C-N 113.048 -1.887 . . . . 0.0 115.152 168.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.98 -43.7 67.49 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 118.527 -1.269 . . . . 0.0 111.363 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.1 mm? -74.22 -15.82 60.99 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 116.087 -1.911 . . . . 0.0 110.798 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.34 . . 57.85 39.79 26.56 Favored 'General case' 0 C--N 1.362 1.152 0 O-C-N 126.514 2.384 . . . . 0.0 115.218 -172.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.26 163.32 29.88 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 122.238 1.018 . . . . 0.0 111.756 172.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.54 141.88 26.26 Favored Glycine 0 N--CA 1.41 -3.034 1 C-N-CA 131.856 4.55 . . . . 0.0 114.816 -174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.519 ' CA ' HD21 ' P' ' 32' ' ' LEU . 26.4 p -50.22 -37.96 37.94 Favored 'General case' 0 C--O 1.278 2.568 0 N-CA-C 120.265 3.431 . . . . 0.0 120.265 174.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.41 -47.8 75.37 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 119.011 -2.306 . . . . 0.0 109.758 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -53.74 -41.33 66.96 Favored 'General case' 0 C--O 1.177 -2.742 0 C-N-CA 124.844 1.257 . . . . 0.0 112.444 -174.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.13 -42.31 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.681 ' HA ' HD12 ' P' ' 27' ' ' LEU . 36.3 mtmt -60.66 -43.03 98.1 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 118.0 -2.937 . . . . 0.0 117.063 176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -72.86 -34.67 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.708 0 CA-C-O 116.255 -1.831 . . . . 0.0 111.663 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 61.8 t90 -66.88 -45.89 76.66 Favored 'General case' 0 N--CA 1.419 -2.02 0 C-N-CA 116.969 -1.892 . . . . 0.0 110.789 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.59 -46.15 70.24 Favored 'General case' 0 CA--C 1.596 2.722 0 CA-C-O 122.02 0.914 . . . . 0.0 110.407 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -65.88 -51.36 59.44 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.254 3.2 p30 -63.79 -31.25 72.37 Favored 'General case' 0 CA--C 1.584 2.261 0 C-N-CA 119.883 -0.727 . . . . 0.0 112.352 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -64.36 -51.29 64.08 Favored 'General case' 0 N--CA 1.526 3.357 0 O-C-N 118.484 -2.635 . . . . 0.0 104.955 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.418 HH11 ' HB2' ' P' ' 54' ' ' ARG . 0.0 OUTLIER -65.0 -44.76 88.17 Favored 'General case' 0 N--CA 1.513 2.694 0 O-C-N 118.137 -2.852 . . . . 0.0 108.901 -173.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 mmm-85 -53.77 -55.84 22.83 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 124.114 0.884 . . . . 0.0 111.958 171.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -49.81 -44.13 49.04 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -77.42 -47.42 19.82 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.196 -2.335 . . . . 0.0 107.832 -171.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.287 0.2 OUTLIER -63.13 -40.36 97.35 Favored 'General case' 0 N--CA 1.412 -2.33 0 O-C-N 125.743 1.902 . . . . 0.0 111.892 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.41 -44.56 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.459 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.251 68.9 mt-30 -69.58 -23.29 63.52 Favored 'General case' 0 N--CA 1.534 3.754 0 O-C-N 116.664 -3.772 . . . . 0.0 111.916 173.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 62.4 m -66.65 -5.35 11.4 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 115.927 -1.987 . . . . 0.0 109.027 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.12 -20.74 1.44 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 124.191 3.178 . . . . 0.0 111.042 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -123.02 -8.88 8.27 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 129.031 2.932 . . . . 0.0 111.249 -175.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' P' ' 65' ' ' LYS . 10.9 t-160 -141.44 176.86 8.53 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-O 125.038 2.352 . . . . 0.0 107.201 -175.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . 0.412 ' H ' ' CD2' ' P' ' 64' ' ' HIS . 21.9 ttpt -125.02 18.13 8.47 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 113.125 -1.852 . . . . 0.0 112.975 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.57 177.29 10.8 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 126.783 2.033 . . . . 0.0 112.471 175.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 45.48 63.6 1.72 Allowed 'General case' 0 N--CA 1.409 -2.482 0 CA-C-O 123.422 1.582 . . . . 0.0 114.8 -176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 CA--C 1.584 2.273 0 CA-C-N 112.413 -2.176 . . . . 0.0 114.166 -167.248 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.377 -3.949 1 C5'-C4'-O4' 118.941 5.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.57 7.324 3 O4'-C4'-C3' 112.732 7.132 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.496 -3.17 2 O4'-C1'-C2' 99.93 -5.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.1 2 O4'-C1'-N19 112.635 6.043 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.604 7.596 1 O5'-C5'-C4' 118.198 5.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.599 5.544 2 O4'-C1'-N19 102.912 -6.11 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.568 7.126 3 O4'-C1'-N19 113.871 7.589 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.565 6.795 4 P-O3'-C3' 126.716 5.847 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.415 1 O4'-C4'-C3' 111.372 5.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.941 3 O4'-C1'-N19 117.183 11.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.565 6.712 5 O4'-C1'-C2' 112.496 5.814 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.469 -4.862 0 O4'-C1'-N19 104.674 -3.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.658 4 O4'-C1'-N19 116.865 11.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -2.876 5 C3'-C2'-C1' 113.621 7.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.429 2 P-O3'-C3' 125.09 4.492 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.254 2 O4'-C1'-N19 114.284 8.105 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.365 -4.696 2 P-O3'-C3' 125.608 4.923 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.589 9.739 3 O4'-C1'-N19 115.901 10.127 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.383 -5.753 5 O4'-C1'-N19 113.711 7.388 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.615 9.73 4 O4'-C1'-N19 114.793 8.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.553 5.207 2 O5'-C5'-C4' 121.044 7.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.937 2 O4'-C1'-N19 118.644 13.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.32 3 P-O3'-C3' 127.849 6.791 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.488 -3.962 3 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.571 7.466 3 P-O3'-C3' 129.828 8.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.468 3 O4'-C1'-N19 113.119 6.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . 0.514 ' HA3' H5'' ' B' ' 91' ' ' ' DG' . . . . . . . . 0 C--O 1.249 1.055 1 CA-C-O 113.336 -4.036 . . . . 0.0 112.866 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -85.42 0.18 8.72 Favored 'Trans proline' 0 C--O 1.261 1.661 1 C-N-CA 129.018 6.479 . . . . 0.0 119.786 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.28 -13.55 2.06 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-O 125.854 2.74 . . . . 0.0 113.246 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -58.19 157.77 7.89 Favored 'General case' 0 C--N 1.372 1.566 1 O-C-N 116.158 -4.089 . . . . 0.0 114.347 167.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.305 1.0 OUTLIER -148.02 172.46 14.21 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 126.579 1.952 . . . . 0.0 106.174 -166.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 51.06 172.06 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 127.052 3.311 . . . . 0.0 111.151 -176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -44.91 161.7 0.03 OUTLIER 'General case' 0 C--N 1.346 0.454 0 CA-C-N 111.36 -2.655 . . . . 0.0 116.8 170.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -142.03 114.63 8.46 Favored 'General case' 0 N--CA 1.416 -2.158 0 C-N-CA 126.643 1.977 . . . . 0.0 106.001 163.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.42 157.72 3.64 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.481 -1.387 . . . . 0.0 114.54 -170.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 27.5 p -103.87 169.8 8.3 Favored 'General case' 0 N--CA 1.423 -1.816 0 C-N-CA 126.945 2.098 . . . . 0.0 114.952 167.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -49.73 -36.68 26.41 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 125.294 1.621 . . . . 0.0 114.652 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 36.7 m -68.35 -40.05 81.65 Favored 'General case' 0 C--N 1.391 2.406 0 O-C-N 127.326 2.891 . . . . 0.0 117.675 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.681 HE22 HD21 ' P' ' 41' ' ' LEU . 71.8 mt-30 -71.42 -42.82 67.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-N 113.368 -1.742 . . . . 0.0 109.123 172.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.92 -32.72 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 124.139 1.923 . . . . 0.0 113.812 172.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -51.11 68.48 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 112.29 -3.719 . . . . 0.0 112.488 167.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.35 -47.08 85.76 Favored 'General case' 0 CA--C 1.469 -2.168 0 CA-C-N 123.703 2.956 . . . . 0.0 110.046 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.472 ' HG ' HD21 ' P' ' 39' ' ' LEU . 15.6 mt -56.86 -47.94 79.26 Favored 'General case' 0 N--CA 1.506 2.333 0 C-N-CA 127.205 2.202 . . . . 0.0 107.665 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' P' ' 21' ' ' PHE . 90.7 mt-10 -68.96 -42.29 76.82 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.026 0.83 . . . . 0.0 112.761 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -52.97 -47.78 67.92 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 124.237 1.97 . . . . 0.0 113.579 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.48 -36.44 57.84 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 118.192 -2.817 . . . . 0.0 112.69 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' P' ' 18' ' ' GLU . 0.5 OUTLIER -52.02 -31.33 29.27 Favored 'General case' 0 C--O 1.178 -2.677 0 CA-C-O 116.621 -1.657 . . . . 0.0 106.774 168.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.05 -25.4 30.46 Favored 'General case' 0 C--N 1.384 2.067 1 CA-C-N 126.095 4.043 . . . . 0.0 113.067 170.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -92.84 -16.49 25.24 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 116.676 -1.631 . . . . 0.0 112.22 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.72 124.41 1.26 Allowed Glycine 1 N--CA 1.531 5.033 0 CA-C-N 125.091 3.587 . . . . 0.0 106.439 -173.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -57.81 -38.13 75.01 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 126.133 1.773 . . . . 0.0 110.379 -170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . 0.431 ' HA ' ' CD1' ' P' ' 50' ' ' PHE . 0.1 OUTLIER -146.2 -174.96 4.58 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 105.218 -2.142 . . . . 0.0 105.218 174.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' P' ' 50' ' ' PHE 0.507 0.4 OUTLIER -109.66 154.41 22.87 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -168.403 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 65.9 p -131.9 161.64 32.55 Favored 'General case' 0 C--O 1.251 1.134 0 C-N-CA 127.993 2.517 . . . . 0.0 106.567 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.263 . . -46.05 -44.09 34.46 Favored Pre-proline 0 N--CA 1.51 2.532 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.59 -46.41 14.4 Favored 'Trans proline' 0 C--N 1.391 2.815 0 C-N-CA 123.36 2.707 . . . . 0.0 117.397 165.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.672 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -53.25 -48.47 68.22 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 123.299 2.772 . . . . 0.0 114.28 172.675 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.439 HD21 ' O ' ' P' ' 43' ' ' THR . 0.4 OUTLIER -53.88 -46.75 71.44 Favored 'General case' 0 C--N 1.395 2.55 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 174.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.82 Favored 'General case' 0 N--CA 1.506 2.355 0 CA-C-O 115.134 -2.365 . . . . 0.0 109.638 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.06 -47.18 22.79 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 122.144 2.247 . . . . 0.0 115.599 165.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . 0.26 0.0 OUTLIER -63.34 -42.91 98.97 Favored 'General case' 0 C--O 1.18 -2.605 0 CA-C-O 115.975 -1.964 . . . . 0.0 115.007 164.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -51.26 -42.58 61.17 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-O 124.561 2.124 . . . . 0.0 114.931 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.42 84.85 Favored 'General case' 0 CA--C 1.619 3.62 0 C-N-CA 128.56 2.744 . . . . 0.0 111.248 170.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.57 -42.84 61.09 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-N 118.44 0.564 . . . . 0.0 112.317 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.472 HD21 ' HG ' ' P' ' 17' ' ' LEU 0.395 10.3 mt -87.95 -16.68 33.15 Favored 'General case' 0 CA--C 1.588 2.429 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.071 -175.388 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.45 51.75 7.83 Favored 'General case' 0 C--N 1.394 2.532 0 O-C-N 127.099 2.749 . . . . 0.0 114.146 -169.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.681 HD21 HE22 ' P' ' 13' ' ' GLN . 73.8 mt -132.51 155.94 47.69 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 114.88 -2.486 . . . . 0.0 113.169 -173.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.69 171.05 5.94 Favored Glycine 0 C--O 1.272 2.488 0 O-C-N 128.705 3.753 . . . . 0.0 115.178 170.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.439 ' O ' HD21 ' P' ' 32' ' ' LEU . 16.6 p -78.49 -28.94 46.49 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 117.803 -3.175 . . . . 0.0 118.768 -176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . 0.481 ' HA ' ' HE3' ' P' ' 47' ' ' LYS . . . -58.69 -45.73 88.82 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 113.711 -3.043 . . . . 0.0 108.914 172.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -52.7 -40.29 62.82 Favored 'General case' 0 CA--C 1.563 1.476 0 O-C-N 126.495 2.372 . . . . 0.0 108.983 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 1.9 t -77.15 -52.22 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.242 0 O-C-N 117.812 -3.055 . . . . 0.0 111.111 -169.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE3' ' HA ' ' P' ' 44' ' ' ALA . 21.2 mtmt -43.35 -52.31 5.93 Favored 'General case' 0 C--O 1.251 1.164 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 166.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.17 -39.95 85.83 Favored 'Isoleucine or valine' 0 C--O 1.263 1.788 0 CA-C-O 121.955 0.884 . . . . 0.0 110.947 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -60.11 -51.58 69.01 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.899 -1.126 . . . . 0.0 108.427 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' P' ' 54' ' ' ARG . 34.2 m-85 -64.19 -39.65 94.43 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 117.098 -1.841 . . . . 0.0 113.086 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -63.9 -49.33 73.11 Favored 'General case' 0 C--N 1.376 1.737 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.455 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.317 0.1 OUTLIER -78.85 -36.99 41.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 128.449 3.593 . . . . 0.0 110.319 -178.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -54.65 31.21 Favored 'General case' 0 CA--C 1.585 2.321 0 CA-C-O 115.282 -2.294 . . . . 0.0 113.006 168.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' P' ' 50' ' ' PHE . 4.7 mpt_? -56.2 -47.81 77.64 Favored 'General case' 0 CA--C 1.579 2.071 0 O-C-N 128.624 3.702 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.536 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 0.0 OUTLIER -66.93 -54.17 24.7 Favored 'General case' 0 C--O 1.278 2.599 0 CA-C-O 111.704 -3.998 . . . . 0.0 105.362 -175.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ttm105 -53.41 -48.44 68.69 Favored 'General case' 0 CA--C 1.617 3.527 1 CA-C-N 127.889 4.859 . . . . 0.0 114.834 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -69.11 -32.55 72.04 Favored 'General case' 0 N--CA 1.525 3.302 0 CA-C-O 114.674 -2.584 . . . . 0.0 116.435 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 11.7 ptpt -70.09 -26.7 64.11 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 121.235 1.834 . . . . 0.0 115.218 167.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -51.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 C-N-CA 127.078 2.151 . . . . 0.0 107.212 165.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -62.41 -33.44 74.78 Favored 'General case' 0 C--N 1.391 2.393 0 C-N-CA 115.786 -2.366 . . . . 0.0 110.297 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 65.2 m -76.15 -30.73 58.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 114.976 -2.44 . . . . 0.0 111.623 -176.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.68 -36.61 84.4 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 129.314 3.046 . . . . 0.0 109.881 169.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -75.72 6.06 5.4 Favored 'General case' 0 C--N 1.379 1.864 0 O-C-N 116.816 -3.677 . . . . 0.0 113.947 174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.358 7.9 m80 54.5 -2.39 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 1 C-N-CA 132.172 4.189 . . . . 0.0 112.852 -168.801 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -87.14 -1.32 57.8 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 125.728 1.892 . . . . 0.0 112.392 -165.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.25 24.2 t0 -125.42 41.0 3.61 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 124.357 1.036 . . . . 0.0 109.837 164.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -159.35 -40.92 0.06 Allowed 'General case' 0 N--CA 1.511 2.622 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 91.5 p . . . . . 0 C--N 1.412 3.318 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 173.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.476 -4.154 2 O4'-C1'-N19 113.254 6.817 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.563 6.484 4 O5'-C5'-C4' 122.041 8.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.473 4.113 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.355 -5.863 2 O4'-C1'-C2' 101.378 -4.293 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.553 -4.529 2 O4'-C1'-N19 115.301 9.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.584 9.17 2 O4'-C1'-N19 103.057 -5.929 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.36 3 O4'-C1'-N19 115.935 10.169 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.559 5.954 2 P-O3'-C3' 125.263 4.636 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.481 3.17 4 O4'-C1'-N19 118.43 13.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . 0.445 H2'' ' H6 ' ' A' ' 79' ' ' ' DC' . . . . . . . . 3 C5'--C4' 1.6 11.125 4 O5'-C5'-C4' 117.768 5.406 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . 0.445 ' H6 ' H2'' ' A' ' 78' ' ' ' DC' . . . . . . . . 2 C5'--C4' 1.566 6.888 3 O4'-C1'-N19 112.842 6.303 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.356 -5.763 2 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.558 5.835 2 O4'-C1'-C2' 100.98 -4.655 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.508 5.933 1 C1'-O4'-C4' 103.046 -4.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.647 5.441 3 C1'-O4'-C4' 101.061 -6.17 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.542 -5.101 1 O5'-C5'-C4' 118.224 5.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.406 " H4'" ' OP1' ' B' ' 86' ' ' ' DG' . . . . . . . . 2 P--O3' 1.557 -4.194 4 O4'-C1'-N19 112.162 5.453 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.406 ' OP1' " H4'" ' B' ' 85' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.551 4.997 3 O5'-C5'-C4' 118.513 5.938 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.44 -7.775 0 C5'-C4'-O4' 103.242 -3.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.558 5.869 3 P-O5'-C5' 132.527 7.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.385 -3.572 3 O4'-C1'-N19 102.722 -6.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.394 -4.761 1 C4'-C3'-C2' 99.058 -4.142 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.514 H5'' ' HA3' ' P' ' 1' ' ' GLY . . . . . . . . 1 O4'--C4' 1.397 -4.416 4 O5'-C5'-C4' 118.452 5.895 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.313 5 O4'-C1'-N19 113.279 6.849 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.311 4 O4'-C1'-N19 112.532 5.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.577 8.227 1 C5'-C4'-C3' 105.663 -6.025 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -48.98 -29.15 14.82 Favored 'Trans proline' 0 N--CA 1.516 2.8 0 C-N-CA 122.17 1.913 . . . . 0.0 112.947 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -126.83 -18.28 4.74 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 126.988 2.115 . . . . 0.0 112.702 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.482 ' HA ' ' HE ' ' P' ' 4' ' ' ARG . 0.0 OUTLIER -93.16 157.3 16.35 Favored 'General case' 0 N--CA 1.507 2.424 1 C-N-CA 131.76 4.024 . . . . 0.0 118.163 -176.508 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.2 t -43.19 143.66 0.78 Allowed 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.192 3.397 . . . . 0.0 107.923 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -89.21 -8.55 53.34 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 -165.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 90.0 m -86.23 136.24 33.25 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.042 0.839 . . . . 0.0 111.852 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -136.27 123.26 21.46 Favored 'General case' 0 CA--C 1.549 0.933 1 C-N-CA 132.896 4.478 . . . . 0.0 112.823 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -52.11 150.19 4.64 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 128.267 2.627 . . . . 0.0 115.028 -171.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -99.87 168.61 9.78 Favored 'General case' 0 C--N 1.371 1.51 0 CA-C-N 123.008 2.64 . . . . 0.0 107.769 168.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 19.1 m -52.46 -42.57 64.3 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.834 -1.166 . . . . 0.0 112.881 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 13.9 m -57.61 -49.18 77.28 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 129.832 3.253 . . . . 0.0 108.182 172.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.95 -39.6 87.33 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 119.778 -1.827 . . . . 0.0 110.294 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.35 -40.28 88.45 Favored 'Isoleucine or valine' 1 C--O 1.129 -5.271 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.569 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.86 86.46 Favored 'General case' 0 C--O 1.185 -2.329 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.1 -54.27 45.26 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.155 1.782 . . . . 0.0 107.528 167.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.638 ' CD2' HD11 ' P' ' 39' ' ' LEU . 12.2 mt -55.8 -43.41 76.83 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 113.783 -3.008 . . . . 0.0 114.325 -175.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.78 -56.35 16.15 Favored 'General case' 0 N--CA 1.496 1.849 1 O-C-N 129.847 4.467 . . . . 0.0 109.006 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.03 -37.04 81.19 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-N 113.332 -1.758 . . . . 0.0 115.178 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.382 96.2 m-70 -70.65 -29.03 65.27 Favored 'General case' 0 C--N 1.372 1.557 0 N-CA-C 119.003 2.964 . . . . 0.0 119.003 170.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -33.92 76.98 Favored 'General case' 0 C--O 1.182 -2.46 1 O-C-N 129.344 4.153 . . . . 0.0 113.614 165.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.77 -35.25 66.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.312 -0.868 . . . . 0.0 111.809 170.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -87.39 0.36 55.59 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.52 112.1 0.31 Allowed Glycine 0 CA--C 1.452 -3.852 0 CA-C-O 123.933 1.851 . . . . 0.0 111.554 168.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -0.67 49.96 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 120.292 3.441 . . . . 0.0 120.292 -166.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -134.37 117.05 15.91 Favored 'General case' 0 CA--C 1.62 3.669 0 O-C-N 125.246 1.591 . . . . 0.0 112.62 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.476 HD11 HG12 ' P' ' 46' ' ' VAL . 0.6 OUTLIER -68.53 139.29 55.61 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 116.887 -3.633 . . . . 0.0 115.218 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 28.7 p -138.44 155.74 48.19 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 129.891 3.276 . . . . 0.0 105.855 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . 0.26 . . -43.93 -41.52 9.63 Favored Pre-proline 0 C--O 1.196 -1.724 0 N-CA-C 119.049 2.981 . . . . 0.0 119.049 171.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' P' ' 28' ' ' THR . 71.6 Cg_endo -66.12 -41.77 12.31 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 CA-C-O 115.587 -1.922 . . . . 0.0 115.946 171.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -62.44 -45.14 94.45 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 122.455 2.388 . . . . 0.0 110.897 170.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.451 ' HB2' HD22 ' P' ' 27' ' ' LEU . 4.5 tp -64.39 -40.09 95.14 Favored 'General case' 0 C--O 1.265 1.891 0 CA-C-O 117.32 -1.324 . . . . 0.0 113.184 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.21 -53.94 50.59 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 128.009 2.524 . . . . 0.0 113.238 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.62 -53.06 61.99 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 126.992 2.117 . . . . 0.0 113.567 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -32.58 71.66 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-O 116.615 -1.66 . . . . 0.0 109.365 -177.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -63.39 -50.87 68.18 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 119.985 1.266 . . . . 0.0 110.081 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -26.38 66.88 Favored 'General case' 0 N--CA 1.436 -1.155 0 O-C-N 121.105 -0.997 . . . . 0.0 112.126 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -88.37 -44.69 10.59 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.129 -2.232 . . . . 0.0 116.138 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.638 HD11 ' CD2' ' P' ' 17' ' ' LEU . 57.6 mt -65.78 -17.51 64.67 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-O 115.612 -2.137 . . . . 0.0 113.748 171.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.258 . . 65.35 38.12 5.95 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.47 1.908 . . . . 0.0 109.484 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.488 HD11 HD13 ' P' ' 39' ' ' LEU . 0.3 OUTLIER -142.89 172.0 13.3 Favored 'General case' 1 N--CA 1.549 4.497 0 CA-C-O 126.865 3.222 . . . . 0.0 112.579 170.403 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.43 138.35 23.41 Favored Glycine 0 C--O 1.202 -1.857 0 O-C-N 117.52 -3.238 . . . . 0.0 116.555 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 45.5 p -43.19 -57.4 2.97 Favored 'General case' 0 N--CA 1.431 -1.377 0 C-N-CA 129.827 3.251 . . . . 0.0 108.55 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.48 -38.4 53.71 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 118.995 -2.315 . . . . 0.0 116.717 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -29.42 70.72 Favored 'General case' 0 N--CA 1.513 2.697 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 173.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.476 HG12 HD11 ' P' ' 27' ' ' LEU . 43.9 t -76.24 -32.3 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 115.037 -2.665 . . . . 0.0 106.584 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' P' ' 27' ' ' LEU . 3.9 tttt -50.9 -58.0 7.1 Favored 'General case' 0 C--O 1.2 -1.52 0 C-N-CA 126.193 1.797 . . . . 0.0 107.834 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 31.0 mm -68.97 -35.09 67.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 O-C-N 128.265 3.478 . . . . 0.0 113.867 -174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -51.96 -49.12 63.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 118.62 -2.55 . . . . 0.0 114.166 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -60.6 -39.27 87.5 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 114.803 -2.759 . . . . 0.0 116.056 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.92 -42.06 58.47 Favored 'General case' 0 C--O 1.255 1.36 0 C-N-CA 131.083 3.753 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.342 1.0 OUTLIER -67.23 -35.78 80.28 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 117.022 -1.871 . . . . 0.0 114.806 172.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -51.51 69.24 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 128.07 2.548 . . . . 0.0 114.666 175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . 0.336 1.0 OUTLIER -66.41 -36.32 82.54 Favored 'General case' 0 C--N 1.381 1.936 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 178.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . 0.301 47.9 mmm-85 -66.54 -48.96 68.03 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 130.662 3.585 . . . . 0.0 111.441 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm105 -71.5 -50.79 28.02 Favored 'General case' 0 N--CA 1.523 3.185 0 CA-C-O 114.225 -2.797 . . . . 0.0 108.087 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -49.92 -54.67 18.27 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 126.981 2.675 . . . . 0.0 109.487 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -72.25 -36.32 69.04 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.71 -51.82 61.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 CA-C-O 124.319 2.009 . . . . 0.0 112.886 170.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -59.71 -29.08 67.87 Favored 'General case' 0 CA--C 1.595 2.677 0 O-C-N 118.331 -2.731 . . . . 0.0 117.511 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -70.73 -40.45 72.75 Favored 'General case' 0 N--CA 1.515 2.791 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -73.59 -25.12 60.2 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -77.65 -5.54 50.74 Favored 'General case' 0 N--CA 1.422 -1.842 0 O-C-N 117.045 -3.534 . . . . 0.0 114.273 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -145.13 67.21 1.24 Allowed 'General case' 0 C--O 1.299 3.704 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.342 35.8 tttm -44.71 -47.11 10.67 Favored 'General case' 1 N--CA 1.542 4.166 0 O-C-N 117.695 -3.128 . . . . 0.0 115.057 169.59 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -158.46 -17.38 0.07 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 119.968 -1.707 . . . . 0.0 113.274 165.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -144.29 142.9 30.73 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.265 1.882 0 CA-C-O 112.657 -3.544 . . . . 0.0 111.656 172.189 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.571 4.33 1 O4'-C1'-N19 101.598 -7.753 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.38 -3.065 1 O5'-C5'-C4' 119.053 6.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.76 2 O4'-C1'-N19 116.802 11.252 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.364 -7.47 5 C4'-C3'-O3' 125.512 6.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.566 6.933 4 O4'-C1'-N19 125.478 22.098 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.585 9.207 3 O5'-C5'-C4' 119.205 6.432 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.359 -7.929 2 O4'-C4'-C3' 111.333 5.733 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.376 6 O5'-C5'-C4' 120.558 7.398 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . 0.478 ' H42' ' H1 ' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 O5'--C5' 1.344 -6.009 1 P-O3'-C3' 126.412 5.594 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.886 2 O4'-C4'-C3' 113.931 8.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.594 10.418 2 C5'-C4'-O4' 120.141 6.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.723 2 O5'-C5'-C4' 117.728 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.522 -7.065 3 P-O3'-C3' 126.121 5.351 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.173 2 O4'-C1'-N19 103.996 -4.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.531 -6.3 3 P-O3'-C3' 128.149 7.041 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.879 1 O5'-C5'-C4' 116.1 4.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.332 -6.779 3 C4'-C3'-C2' 97.993 -5.207 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.478 ' H1 ' ' H42' ' A' ' 77' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.56 6.174 2 N19-C1'-C2' 123.896 6.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.979 5 O4'-C1'-N19 112.824 6.28 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.378 -6.189 2 P-O3'-C3' 127.67 6.642 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.323 -7.464 0 C5'-C4'-C3' 119.999 3.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . 0.452 " H4'" ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 3 P--O5' 1.657 6.402 4 P-O3'-C3' 129.149 7.874 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.578 8.413 1 P-O3'-C3' 126.567 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.578 6.047 1 O4'-C1'-N19 115.375 9.469 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.336 1 P-O3'-C3' 128.339 7.199 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.484 -3.443 3 P-O3'-C3' 125.211 4.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.526 4.648 0 CA-C-O 117.464 -1.742 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -55.15 -27.43 55.92 Favored 'Trans proline' 0 CA--C 1.563 1.969 0 C-N-CA 122.98 2.454 . . . . 0.0 117.762 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.437 ' O ' H5'' ' A' ' 76' ' ' ' DT' . 2.9 mmm180 -116.39 53.98 0.86 Allowed 'General case' 0 C--O 1.258 1.546 1 CA-C-O 129.381 4.42 . . . . 0.0 113.889 -177.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -137.71 163.27 31.73 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-N 110.149 -3.205 . . . . 0.0 105.365 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 9.3 p -69.46 -178.61 1.44 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 117.325 -1.322 . . . . 0.0 113.261 164.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . 0.254 24.0 ttm-85 -146.07 56.61 1.19 Allowed 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 128.866 2.866 . . . . 0.0 104.731 163.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . 0.602 HG21 ' HG2' ' P' ' 45' ' ' GLN . 25.0 m -141.54 131.23 24.12 Favored 'General case' 0 C--O 1.191 -2.005 0 CA-C-O 125.572 2.606 . . . . 0.0 107.954 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -119.97 119.85 34.64 Favored 'General case' 0 CA--C 1.577 1.992 0 CA-C-N 108.63 -3.896 . . . . 0.0 105.534 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -72.05 132.75 44.67 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-N 111.037 -2.801 . . . . 0.0 107.833 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.3 p -91.75 159.26 15.92 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 117.232 -1.366 . . . . 0.0 111.309 169.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 48.6 m -54.77 -30.7 57.32 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 129.305 3.042 . . . . 0.0 108.276 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -46.17 40.1 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 125.797 1.935 . . . . 0.0 110.633 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.74 -50.79 69.67 Favored 'General case' 0 C--O 1.178 -2.665 0 CA-C-O 116.602 -1.666 . . . . 0.0 111.202 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . 0.286 8.3 mt -52.3 -28.46 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.352 0 C-N-CA 118.161 -1.415 . . . . 0.0 112.396 171.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.25 -52.45 33.83 Favored 'General case' 0 C--O 1.268 2.065 0 CA-C-N 118.92 0.782 . . . . 0.0 111.107 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' P' ' 39' ' ' LEU . 2.2 mm-40 -56.99 -52.06 66.76 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' P' ' 39' ' ' LEU . 15.4 mt -58.59 -51.02 71.67 Favored 'General case' 0 N--CA 1.404 -2.73 0 CA-C-O 115.248 -2.31 . . . . 0.0 111.61 -176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -56.18 -47.94 77.34 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 117.395 2.368 . . . . 0.0 117.395 169.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -42.09 99.3 Favored 'General case' 0 CA--C 1.494 -1.182 1 O-C-N 116.244 -4.035 . . . . 0.0 110.097 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.338 89.9 m-70 -78.23 -34.74 49.08 Favored 'General case' 0 C--O 1.21 -0.996 0 O-C-N 119.748 -1.845 . . . . 0.0 106.493 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -27.55 64.68 Favored 'General case' 0 CA--C 1.578 2.047 0 CA-C-O 118.713 -0.661 . . . . 0.0 112.098 168.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.72 -27.37 69.16 Favored 'General case' 0 CA--C 1.578 2.054 0 O-C-N 119.331 -2.105 . . . . 0.0 114.247 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -88.44 -18.1 29.02 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 127.774 2.43 . . . . 0.0 110.767 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.81 118.99 0.76 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 118.039 1.976 . . . . 0.0 118.039 169.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -74.57 -10.03 59.15 Favored 'General case' 0 CA--C 1.567 1.599 1 C-N-CA 133.945 4.898 . . . . 0.0 111.97 -167.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -131.59 136.28 47.65 Favored 'General case' 0 C--N 1.384 2.104 0 O-C-N 128.661 3.726 . . . . 0.0 112.149 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.674 HD11 HG12 ' P' ' 46' ' ' VAL . 13.9 mt -82.92 154.91 24.33 Favored 'General case' 0 N--CA 1.398 -3.026 0 O-C-N 125.717 1.886 . . . . 0.0 109.158 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.443 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 25.0 p -139.52 164.17 30.61 Favored 'General case' 0 N--CA 1.408 -2.575 0 CA-C-N 109.423 -3.535 . . . . 0.0 101.786 167.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.03 99.15 Favored Pre-proline 0 C--N 1.28 -2.439 0 O-C-N 118.702 -2.499 . . . . 0.0 110.075 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -59.86 -41.89 50.2 Favored 'Trans proline' 0 CA--C 1.576 2.591 0 N-CA-C 117.582 2.108 . . . . 0.0 117.582 167.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.443 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.43 -49.66 68.34 Favored 'General case' 0 C--O 1.27 2.163 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -173.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -48.62 74.9 Favored 'General case' 0 N--CA 1.422 -1.866 0 CA-C-O 113.397 -3.192 . . . . 0.0 110.893 172.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.27 -55.85 26.74 Favored 'General case' 0 CA--C 1.597 2.786 0 CA-C-N 122.859 2.572 . . . . 0.0 111.507 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.78 -51.73 67.78 Favored 'General case' 0 CA--C 1.564 1.49 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.424 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.2 OUTLIER -60.53 -39.04 86.4 Favored 'General case' 0 C--O 1.196 -1.711 0 N-CA-C 118.532 2.79 . . . . 0.0 118.532 174.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 8.1 t -57.13 -39.65 75.58 Favored 'General case' 0 N--CA 1.38 -3.932 0 CA-C-O 116.2 -1.857 . . . . 0.0 111.161 172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -36.75 67.63 Favored 'General case' 0 N--CA 1.411 -2.417 0 CA-C-N 123.142 2.701 . . . . 0.0 115.717 171.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -76.34 -47.55 23.07 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' P' ' 16' ' ' GLU 0.27 19.2 mt -65.48 -14.92 62.04 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-O 113.461 -3.161 . . . . 0.0 111.966 166.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 51.78 66.11 1.3 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.825 1.648 . . . . 0.0 112.283 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -139.69 153.96 47.37 Favored 'General case' 0 C--O 1.192 -1.933 0 CA-C-O 124.889 2.28 . . . . 0.0 107.895 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.75 145.87 42.5 Favored Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.953 168.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . 0.252 41.6 p -54.34 -39.95 67.58 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-O 126.441 3.019 . . . . 0.0 116.242 -170.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -41.38 75.39 Favored 'General case' 0 C--N 1.248 -3.815 0 O-C-N 117.47 -3.268 . . . . 0.0 109.663 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . 0.602 ' HG2' HG21 ' P' ' 7' ' ' THR . 2.9 mp0 -58.16 -35.01 70.92 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 126.025 2.078 . . . . 0.0 112.341 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.674 HG12 HD11 ' P' ' 27' ' ' LEU . 3.5 t -73.78 -51.08 25.94 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.835 0 O-C-N 118.186 -2.821 . . . . 0.0 112.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.404 ' HG2' HD12 ' P' ' 27' ' ' LEU . 56.8 mtmt -56.93 -48.46 78.24 Favored 'General case' 0 C--O 1.266 1.939 0 O-C-N 117.904 -2.998 . . . . 0.0 111.97 170.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . 0.79 HD13 ' HE2' ' P' ' 51' ' ' LYS . 7.9 mm -63.12 -31.27 52.05 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 22.9 t90 -58.66 -51.46 69.85 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 167.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.429 ' O ' ' HD3' ' P' ' 54' ' ' ARG . 2.6 m-85 -62.26 -55.65 26.25 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.071 -2.268 . . . . 0.0 109.737 -177.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . 0.79 ' HE2' HD13 ' P' ' 48' ' ' ILE . 4.4 mtpt -47.73 -52.03 19.95 Favored 'General case' 0 C--O 1.262 1.713 1 O-C-N 115.047 -4.783 . . . . 0.0 110.469 170.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.253 1.2 p30 -64.14 -34.48 78.16 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 116.416 -3.927 . . . . 0.0 111.118 176.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.3 -53.47 36.21 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 124.096 3.135 . . . . 0.0 107.992 -175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' P' ' 50' ' ' PHE . 0.0 OUTLIER -55.84 -50.68 69.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.892 1.995 . . . . 0.0 108.878 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -51.31 -63.37 1.15 Allowed 'General case' 0 CA--C 1.47 -2.097 0 C-N-CA 126.62 1.968 . . . . 0.0 108.136 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . 0.505 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 24.3 ttm105 -50.86 -38.23 48.13 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.233 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -71.3 -51.25 25.44 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 128.279 2.632 . . . . 0.0 109.843 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -68.64 -32.02 71.57 Favored 'General case' 0 N--CA 1.536 3.86 0 O-C-N 118.169 -2.832 . . . . 0.0 115.895 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.09 -50.75 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 126.199 1.8 . . . . 0.0 109.477 174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' P' ' 63' ' ' GLN . 82.2 mm-40 -65.75 -35.36 80.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 116.299 -1.81 . . . . 0.0 112.09 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 72.1 m -54.6 -35.76 63.72 Favored 'General case' 1 N--CA 1.552 4.633 0 C-N-CA 127.403 2.281 . . . . 0.0 109.997 164.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.33 -33.54 75.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 122.696 2.498 . . . . 0.0 113.055 172.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' HA ' ' P' ' 60' ' ' GLN . 32.2 mm-40 -68.48 -32.0 71.68 Favored 'General case' 0 C--N 1.362 1.135 0 CA-C-O 121.853 0.835 . . . . 0.0 112.515 -171.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -36.1 -14.78 0.0 OUTLIER 'General case' 0 C--N 1.359 0.999 0 N-CA-C 120.213 3.412 . . . . 0.0 120.213 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -60.33 -14.86 20.7 Favored 'General case' 0 CA--C 1.563 1.458 0 O-C-N 119.248 -2.158 . . . . 0.0 116.513 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -149.71 154.44 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 118.532 -2.605 . . . . 0.0 109.077 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.56 119.3 8.05 Favored 'General case' 0 C--O 1.285 2.957 1 C-N-CA 132.343 4.257 . . . . 0.0 110.407 170.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.277 2.526 0 CA-C-N 112.205 -2.27 . . . . 0.0 116.791 177.135 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.47 -5.823 3 O4'-C1'-N19 114.341 8.176 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . 0.421 ' H42' ' N6 ' ' B' ' 92' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.479 -3.878 1 O4'-C1'-N19 98.521 -11.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 3.616 3 O4'-C1'-C2' 96.343 -8.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.647 5.411 2 O4'-C1'-C2' 99.7 -5.818 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.596 10.565 2 P-O3'-C3' 126.43 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . 0.505 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 C3'--C2' 1.572 5.35 3 O4'-C1'-C2' 99.282 -6.198 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . 0.418 ' C2 ' ' C2 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 1 P--O3' 1.553 -4.5 6 O4'-C1'-C2' 98.033 -7.333 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . 0.437 H5'' ' O ' ' P' ' 3' ' ' ARG . . . . . . . . 1 C3'--C2' 1.457 -6.128 2 P-O3'-C3' 127.528 6.524 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.24 4 O4'-C4'-C3' 111.905 6.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.554 5.381 2 O3'-P-O5' 93.9 -5.316 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.548 -4.548 2 C3'-C2'-C1' 94.867 -5.595 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.012 1 C5'-C4'-O4' 117.212 4.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.569 7.239 2 O4'-C4'-C3' 109.879 4.279 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . 0.506 H2'' ' C8 ' ' B' ' 83' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.443 -8.47 5 O4'-C1'-C2' 115.888 8.898 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . 0.506 ' C8 ' H2'' ' B' ' 82' ' ' ' DC' . . . . . . . . 3 C3'--C2' 1.609 9.134 0 O5'-C5'-C4' 114.065 2.761 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.475 -4.286 4 O5'-C5'-C4' 123.12 9.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.261 2 O4'-C1'-N19 112.631 6.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.127 3 O4'-C1'-N19 118.471 13.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.585 6.729 3 O5'-C5'-C4' 120.387 7.276 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.569 7.193 2 C3'-C2'-C1' 95.791 -4.935 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.559 5.982 4 P-O3'-C3' 126.371 5.559 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.198 2 C5'-C4'-O4' 119.19 6.119 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.466 -3.955 1 O5'-C5'-C4' 119.35 6.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . 0.421 ' N6 ' ' H42' ' A' ' 70' ' ' ' DC' . . . . . . . . 1 P--O5' 1.547 -4.568 4 C3'-C2'-C1' 94.606 -5.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.472 4 O4'-C4'-C3' 112.437 6.837 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.635 4.187 4 O4'-C4'-C3' 113.812 8.212 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . 0.408 ' HA2' ' OP1' ' B' ' 91' ' ' ' DG' . . . . . . . . 0 CA--C 1.475 -2.469 0 CA-C-O 117.256 -1.858 . . . . 0.0 113.666 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -54.97 -42.27 70.74 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 O-C-N 126.892 3.048 . . . . 0.0 111.796 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.83 -22.49 3.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.465 2.353 . . . . 0.0 114.762 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.452 ' HD3' H5'' ' B' ' 91' ' ' ' DG' . 33.8 ttp85 -62.67 -15.14 50.88 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 171.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -116.75 -178.34 3.4 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 130.354 3.462 . . . . 0.0 115.455 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -132.14 -10.89 3.33 Favored 'General case' 0 N--CA 1.512 2.629 0 CA-C-O 124.695 2.188 . . . . 0.0 115.967 -169.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m -142.69 140.0 31.37 Favored 'General case' 0 C--N 1.295 -1.78 0 C-N-CA 128.258 2.623 . . . . 0.0 113.456 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -108.39 127.72 54.13 Favored 'General case' 0 C--O 1.276 2.47 0 CA-C-O 123.023 1.392 . . . . 0.0 109.909 166.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -81.46 148.87 29.03 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 117.098 -3.502 . . . . 0.0 115.714 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 25.9 p -121.51 163.43 18.85 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 45.0 m -61.88 -28.61 69.63 Favored 'General case' 0 C--O 1.267 1.994 0 O-C-N 118.785 -2.447 . . . . 0.0 117.243 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -73.68 -31.17 63.31 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.591 HE22 HD21 ' P' ' 41' ' ' LEU . 42.3 mt-30 -73.22 -42.96 62.01 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.956 -2.965 . . . . 0.0 108.399 168.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -60.04 -36.62 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 120.831 1.651 . . . . 0.0 110.303 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -48.59 70.72 Favored 'General case' 0 C--O 1.283 2.838 0 C-N-CA 126.737 2.015 . . . . 0.0 112.014 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.71 -52.81 64.12 Favored 'General case' 0 C--O 1.197 -1.682 0 CA-C-O 122.482 1.134 . . . . 0.0 112.234 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.628 ' CD2' HD11 ' P' ' 39' ' ' LEU . 19.8 mt -54.2 -43.75 71.0 Favored 'General case' 0 C--O 1.186 -2.263 0 CA-C-O 113.84 -2.981 . . . . 0.0 109.217 -175.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -58.53 -53.25 60.4 Favored 'General case' 0 N--CA 1.413 -2.298 0 C-N-CA 129.536 3.134 . . . . 0.0 111.853 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -72.39 -39.92 67.62 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-O 114.621 -2.609 . . . . 0.0 109.086 -165.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -74.86 -28.25 60.59 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 125.332 1.645 . . . . 0.0 112.762 172.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -33.36 54.79 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 114.491 -2.671 . . . . 0.0 114.22 163.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 53.3 mt -53.4 -27.5 24.55 Favored 'General case' 0 CA--C 1.588 2.441 0 CA-C-N 120.858 1.663 . . . . 0.0 109.523 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -93.81 -12.09 29.8 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.43 104.09 0.24 Allowed Glycine 0 C--O 1.266 2.125 0 O-C-N 124.947 1.404 . . . . 0.0 109.962 171.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -55.28 -25.66 35.41 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 121.286 3.809 . . . . 0.0 121.286 -172.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -144.66 35.07 1.15 Allowed 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 122.327 1.06 . . . . 0.0 113.852 -171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' P' ' 50' ' ' PHE . 5.3 mt 60.23 162.78 0.05 Allowed 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 131.12 3.768 . . . . 0.0 111.203 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 73.7 p -140.9 161.27 38.21 Favored 'General case' 0 C--O 1.262 1.739 0 N-CA-C 103.97 -2.604 . . . . 0.0 103.97 160.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.36 -38.88 60.58 Favored Pre-proline 0 C--N 1.361 1.066 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 169.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -59.67 -46.65 19.35 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.9 1.733 . . . . 0.0 114.995 167.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.495 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -52.23 -53.79 39.2 Favored 'General case' 0 N--CA 1.534 3.74 0 CA-C-O 112.896 -3.43 . . . . 0.0 109.695 168.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . 0.29 1.0 OUTLIER -54.97 -53.82 50.73 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 122.815 2.552 . . . . 0.0 110.893 -178.413 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.25 26.39 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 126.61 2.444 . . . . 0.0 114.177 175.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.42 -35.81 78.57 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 112.284 -2.235 . . . . 0.0 115.691 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.67 -35.74 57.76 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.768 -177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 19.8 t -64.18 -39.02 93.12 Favored 'General case' 0 N--CA 1.409 -2.478 0 O-C-N 124.66 1.225 . . . . 0.0 110.555 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.34 82.63 Favored 'General case' 0 CA--C 1.592 2.569 0 C-N-CA 127.889 2.475 . . . . 0.0 111.971 175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -77.97 -52.39 8.89 Favored 'General case' 0 N--CA 1.526 3.373 0 CA-C-N 121.773 2.079 . . . . 0.0 116.054 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' P' ' 17' ' ' LEU . 16.7 mt -51.97 -34.45 42.32 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 126.137 2.148 . . . . 0.0 114.58 171.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.86 35.12 0.4 Allowed 'General case' 0 C--O 1.259 1.572 0 C-N-CA 130.469 3.508 . . . . 0.0 110.806 -175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.591 HD21 HE22 ' P' ' 13' ' ' GLN . 15.2 mt -121.18 151.96 39.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 127.804 2.442 . . . . 0.0 110.937 -173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.23 145.17 35.04 Favored Glycine 0 C--O 1.255 1.43 0 CA-C-N 111.915 -2.402 . . . . 0.0 111.335 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -45.58 71.2 Favored 'General case' 0 CA--C 1.6 2.898 0 CA-C-O 115.955 -1.974 . . . . 0.0 110.816 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.362 . . -47.68 -40.32 19.68 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 119.458 3.132 . . . . 0.0 119.458 175.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.97 -37.51 85.04 Favored 'General case' 0 C--O 1.269 2.126 0 CA-C-O 113.218 -3.277 . . . . 0.0 111.488 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.3 t -67.9 -47.94 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-N 120.688 1.586 . . . . 0.0 110.594 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' P' ' 27' ' ' LEU . 50.4 mtmt -54.37 -52.28 62.14 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 125.947 1.699 . . . . 0.0 112.51 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . 0.429 ' HA ' ' HE2' ' P' ' 51' ' ' LYS . 84.0 mt -66.76 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.337 0 CA-C-O 116.023 -1.942 . . . . 0.0 108.508 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -64.1 -52.29 59.93 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 126.574 2.421 . . . . 0.0 110.56 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.502 ' CD2' ' HG ' ' P' ' 27' ' ' LEU 0.325 8.2 m-85 -65.06 -36.82 85.55 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 116.695 -2.002 . . . . 0.0 116.165 178.744 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' P' ' 48' ' ' ILE . 2.0 mtpt -63.32 -37.16 86.18 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 123.653 1.692 . . . . 0.0 109.816 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.397 58.4 m-80 -55.25 -44.47 75.58 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.062 -3.524 . . . . 0.0 116.442 167.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 ttt-85 -61.35 -46.9 88.31 Favored 'General case' 0 N--CA 1.519 3.002 0 C-N-CA 126.657 1.983 . . . . 0.0 112.565 171.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -65.05 -46.63 80.46 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.11 -0.947 . . . . 0.0 109.368 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.492 ' HA ' ' HE3' ' P' ' 58' ' ' LYS . 38.6 mmm-85 -59.33 -52.95 63.45 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 128.034 3.333 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -53.91 -52.13 61.53 Favored 'General case' 0 CA--C 1.598 2.802 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -49.51 -57.51 6.92 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 125.055 1.472 . . . . 0.0 110.903 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' P' ' 55' ' ' ARG . 16.2 pttp -73.82 -25.37 60.07 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.589 2.07 . . . . 0.0 116.589 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 47.3 mt -69.79 -46.32 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.631 0 O-C-N 118.082 -2.886 . . . . 0.0 112.738 168.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.51 -41.27 93.38 Favored 'General case' 0 C--N 1.388 2.248 0 O-C-N 118.567 -2.583 . . . . 0.0 115.053 174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -58.43 -28.33 65.16 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 111.599 -2.546 . . . . 0.0 111.729 170.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.27 -24.52 59.28 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 119.995 1.27 . . . . 0.0 112.725 -170.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -124.62 13.49 8.69 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 -171.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -158.62 -26.54 0.08 Allowed 'General case' 0 CA--C 1.591 2.529 0 O-C-N 119.55 -1.969 . . . . 0.0 109.368 -170.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp 57.57 172.08 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 117.853 2.538 . . . . 0.0 117.853 -168.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 39.6 50.95 2.25 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-O 124.329 2.014 . . . . 0.0 116.195 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -56.77 -31.24 64.42 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 CA--C 1.441 -3.243 0 C-N-CA 129.118 2.967 . . . . 0.0 117.011 -173.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.445 -7.345 2 O4'-C1'-N19 113.826 7.533 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.545 -4.766 4 C4'-C3'-C2' 97.723 -5.477 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.555 5.49 3 O4'-C1'-N19 103.511 -5.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.378 -6.16 2 O4'-C1'-N19 115.963 10.204 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.442 -8.59 4 C4'-C3'-C2' 94.107 -9.093 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.592 6.374 1 O3'-P-O5' 96.101 -4.158 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 2 O5'-C5'-C4' 122.341 8.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . 0.407 ' C4 ' ' N4 ' ' A' ' 77' ' ' ' DC' . . . . . . . . 6 O4'--C4' 1.344 -9.3 5 O4'-C1'-N19 113.429 7.036 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . 0.407 ' N4 ' ' C4 ' ' A' ' 76' ' ' ' DT' . . . . . . . . 2 O4'--C1' 1.348 -5.552 1 O5'-C5'-C4' 116.419 4.442 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.565 4.737 3 O4'-C1'-N19 97.339 -13.076 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.518 7.551 4 O4'-C1'-N19 102.311 -6.861 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.445 -5.456 3 C5'-C4'-O4' 99.685 -6.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.653 6.013 1 O4'-C1'-N19 113.384 6.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.601 7.276 1 C4'-C3'-O3' 100.955 -4.248 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.491 4.593 2 O4'-C1'-N19 111.474 4.592 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.615 9.709 3 O4'-C4'-C3' 111.453 5.853 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.785 1 O4'-C1'-N19 114.425 8.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.493 " H1'" " O4'" ' B' ' 87' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.011 1 O5'-C5'-C4' 119.554 6.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . 0.493 " O4'" " H1'" ' B' ' 86' ' ' ' DG' . . . . . . . . 2 P--O5' 1.525 -6.812 3 O4'-C1'-N19 113.851 7.564 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.564 6.677 3 O4'-C1'-N19 113.379 6.974 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.702 1 N19-C1'-C2' 122.65 5.281 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.567 -3.371 3 O4'-C1'-N19 119.313 14.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.452 H5'' ' HD3' ' P' ' 4' ' ' ARG . . . . . . . . 2 O4'--C4' 1.338 -9.786 3 O5'-C5'-C4' 118.046 5.604 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.583 5.455 1 O5'-C5'-C4' 121.211 7.865 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.587 4.715 3 O4'-C1'-N19 114.947 8.934 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.627 14.5 5 C1'-O4'-C4' 101.663 -5.741 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 2.453 0 CA-C-O 117.192 -1.893 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -79.88 63.87 8.79 Favored 'Trans proline' 0 N--CA 1.529 3.574 0 C-N-CA 124.966 3.777 . . . . 0.0 113.021 -174.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -137.97 -31.03 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 128.904 2.882 . . . . 0.0 114.396 170.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 176.93 2.03 Favored 'General case' 0 N--CA 1.528 3.466 1 C-N-CA 133.339 4.656 . . . . 0.0 113.981 -171.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 14.9 t -147.07 152.17 38.09 Favored 'General case' 0 C--N 1.405 2.998 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.151 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.61 160.96 21.29 Favored 'General case' 0 C--O 1.204 -1.307 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 11.6 m -113.03 152.03 29.96 Favored 'General case' 0 C--O 1.186 -2.247 0 O-C-N 127.728 3.143 . . . . 0.0 108.541 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 41.0 m -128.48 90.56 3.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.701 1.2 . . . . 0.0 112.661 166.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -59.16 152.84 19.52 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 -172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 43.8 p -104.76 170.66 7.75 Favored 'General case' 0 C--N 1.378 1.834 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.475 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 23.2 m -51.52 -45.73 63.03 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-N 122.368 2.349 . . . . 0.0 115.62 161.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 39.6 m -61.11 -43.11 99.39 Favored 'General case' 0 CA--C 1.6 2.888 0 C-N-CA 125.435 1.494 . . . . 0.0 111.169 176.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -72.95 -44.92 60.58 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.76 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.9 mt -52.62 -34.04 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 119.905 -1.747 . . . . 0.0 111.643 168.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.42 64.09 Favored 'General case' 0 N--CA 1.407 -2.621 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -55.2 -52.08 64.5 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.406 -1.434 . . . . 0.0 109.601 171.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.603 ' HG ' HD21 ' P' ' 39' ' ' LEU . 16.7 mt -47.74 -52.43 18.55 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 127.239 2.837 . . . . 0.0 111.056 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' P' ' 53' ' ' ARG . 16.5 mm-40 -57.87 -56.32 23.51 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 125.856 1.662 . . . . 0.0 114.432 168.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -44.1 92.59 Favored 'General case' 0 CA--C 1.618 3.559 0 CA-C-N 119.257 0.935 . . . . 0.0 111.055 -171.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.13 -26.02 33.88 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 114.946 -2.454 . . . . 0.0 110.373 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -52.6 -28.38 20.9 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.719 161.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 31.3 mt -57.51 -20.75 33.49 Favored 'General case' 0 C--O 1.28 2.708 0 CA-C-O 127.061 3.315 . . . . 0.0 113.183 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -91.86 -17.27 25.51 Favored 'General case' 0 C--N 1.368 1.382 0 O-C-N 118.805 -2.434 . . . . 0.0 111.488 175.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.31 83.19 0.1 Allowed Glycine 1 CA--C 1.588 4.623 0 CA-C-N 121.474 1.943 . . . . 0.0 113.755 -168.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.24 -17.39 1.69 Allowed 'General case' 0 C--N 1.389 2.321 0 N-CA-C 118.719 2.859 . . . . 0.0 118.719 -170.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.67 30.37 3.45 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.228 2.211 . . . . 0.0 110.917 -176.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' P' ' 47' ' ' LYS . 0.5 OUTLIER 53.97 164.22 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.922 1 C-N-CA 133.341 4.656 . . . . 0.0 115.763 -176.549 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.457 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 44.4 p -138.77 162.73 34.0 Favored 'General case' 0 N--CA 1.409 -2.514 0 C-N-CA 124.914 1.285 . . . . 0.0 109.876 163.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.0 -42.16 46.62 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 116.433 2.012 . . . . 0.0 116.433 164.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' P' ' 28' ' ' THR 0.285 4.6 Cg_exo -55.04 -46.25 34.64 Favored 'Trans proline' 0 C--O 1.262 1.675 1 C-N-CA 127.64 5.56 . . . . 0.0 113.028 171.173 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -45.65 59.44 Favored 'General case' 0 N--CA 1.523 3.193 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.664 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.498 HD12 HD11 ' P' ' 27' ' ' LEU . 1.3 tp -51.72 -52.26 49.8 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 127.686 2.394 . . . . 0.0 107.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 C--N 1.39 2.329 0 O-C-N 119.399 -2.063 . . . . 0.0 112.629 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -41.64 77.03 Favored 'General case' 0 C--O 1.282 2.804 0 C-N-CA 126.514 1.926 . . . . 0.0 111.49 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' P' ' 39' ' ' LEU . 0.0 OUTLIER -65.2 -46.06 82.26 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.182 165.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 25.6 p -54.39 -41.92 69.79 Favored 'General case' 0 C--O 1.278 2.565 0 CA-C-N 122.262 2.301 . . . . 0.0 112.226 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.59 73.02 Favored 'General case' 0 CA--C 1.574 1.871 0 O-C-N 120.594 -1.316 . . . . 0.0 112.49 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . 0.497 ' HZ2' ' HB2' ' P' ' 38' ' ' LYS . 10.3 mtmp? -83.0 -39.97 20.59 Favored 'General case' 0 C--O 1.253 1.259 0 N-CA-C 118.843 2.905 . . . . 0.0 118.843 -178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.603 HD21 ' HG ' ' P' ' 17' ' ' LEU . 6.5 mt -65.79 -19.2 65.8 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 118.139 -2.851 . . . . 0.0 110.272 166.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.19 46.54 0.61 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 122.418 2.372 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' P' ' 41' ' ' LEU . 92.9 mt -126.18 170.58 11.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 129.391 3.077 . . . . 0.0 110.721 -170.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.21 151.83 28.89 Favored Glycine 0 CA--C 1.503 -0.675 0 CA-C-N 113.568 -1.651 . . . . 0.0 113.617 165.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 7.0 p -57.03 -38.74 73.59 Favored 'General case' 0 C--O 1.254 1.291 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 -176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.57 -31.43 72.24 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.756 1.622 . . . . 0.0 114.763 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.19 -53.19 22.16 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.509 0 O-C-N 120.745 -1.222 . . . . 0.0 108.023 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.58 ' HA ' HD12 ' P' ' 27' ' ' LEU 0.273 0.0 OUTLIER -57.58 -41.17 80.58 Favored 'General case' 0 C--O 1.196 -1.756 0 CA-C-O 116.366 -1.778 . . . . 0.0 113.168 174.663 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.15 -27.05 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.048 0 CA-C-O 113.744 -3.027 . . . . 0.0 113.233 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 34.0 t90 -66.2 -41.94 89.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 126.725 2.516 . . . . 0.0 112.568 170.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.98 -44.16 85.72 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.188 178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -58.88 -47.77 83.77 Favored 'General case' 0 C--O 1.287 3.042 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 171.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -61.95 -46.0 91.23 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-O 116.893 -1.527 . . . . 0.0 110.48 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' P' ' 18' ' ' GLU . 56.3 ttt85 -52.23 -56.1 16.88 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 125.613 1.821 . . . . 0.0 112.09 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.465 ' O ' ' HE2' ' P' ' 58' ' ' LYS . 1.0 OUTLIER -73.15 -33.44 65.48 Favored 'General case' 0 C--O 1.269 2.089 0 CA-C-N 120.025 1.284 . . . . 0.0 113.013 -172.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -68.07 -42.59 80.2 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 115.044 -2.407 . . . . 0.0 112.2 163.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttm105 -68.99 -42.46 76.49 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 125.027 3.558 . . . . 0.0 112.035 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -57.7 -45.05 86.2 Favored 'General case' 0 N--CA 1.416 -2.155 0 C-N-CA 127.348 2.259 . . . . 0.0 111.029 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' P' ' 54' ' ' ARG . 11.6 ptpt -74.61 -37.36 62.87 Favored 'General case' 1 N--CA 1.546 4.347 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -171.509 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mt -59.49 -46.48 92.83 Favored 'Isoleucine or valine' 0 C--N 1.384 2.066 0 O-C-N 125.238 1.587 . . . . 0.0 108.573 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -72.39 -33.92 67.53 Favored 'General case' 0 C--O 1.287 3.05 0 C-N-CA 128.358 2.663 . . . . 0.0 110.855 -174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -61.48 -39.95 92.78 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 130.44 3.496 . . . . 0.0 108.888 174.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.19 -1.77 11.18 Favored 'General case' 0 CA--C 1.607 3.141 0 C-N-CA 126.691 1.996 . . . . 0.0 110.706 170.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -119.89 1.27 10.96 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 122.405 2.366 . . . . 0.0 114.265 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.253 13.3 p-80 -152.07 8.76 0.49 Allowed 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 118.846 2.906 . . . . 0.0 118.846 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -145.91 4.72 0.99 Allowed 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -158.61 32.1 0.23 Allowed 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 126.221 1.808 . . . . 0.0 112.575 -166.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -159.67 4.68 0.09 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 117.437 -3.289 . . . . 0.0 114.278 -167.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.535 3.815 0 CA-C-N 120.344 1.429 . . . . 0.0 110.158 -173.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.149 2 O5'-C5'-C4' 119.176 6.411 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.536 -5.667 1 O5'-C5'-C4' 120.114 7.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.571 7.545 2 O4'-C4'-C3' 110.602 5.002 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.547 5 O4'-C4'-C3' 114.103 8.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.374 -6.528 4 P-O3'-C3' 127.375 6.396 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.701 4 C5'-C4'-O4' 118.509 5.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.478 4.474 2 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.563 -3.698 1 N19-C1'-C2' 120.845 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -4.945 2 P-O3'-C3' 129.58 8.233 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 7.022 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.716 1 O5'-C5'-C4' 116.974 4.839 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.435 3 C4'-C3'-C2' 91.1 -12.1 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.452 -4.964 4 O4'-C1'-N19 117.865 12.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . 0.422 H2'' ' C8 ' ' B' ' 83' ' ' ' DG' . . . . . . . . 2 C5'--C4' 1.584 9.139 2 C1'-O4'-C4' 103.051 -4.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . 0.422 ' C8 ' H2'' ' B' ' 82' ' ' ' DC' . . . . . . . . 2 C4'--C3' 1.597 6.899 5 C4'-C3'-C2' 95.382 -7.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.043 2 O4'-C1'-N19 113.911 7.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.563 6.479 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.358 -5.62 1 O4'-C1'-N19 112.851 6.313 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.571 5.288 2 O4'-C1'-N19 111.765 4.956 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.581 4.3 4 P-O3'-C3' 125.746 5.039 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.503 -8.974 1 P-O3'-C3' 125.179 4.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.578 8.377 4 O4'-C1'-N19 114.531 8.413 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.567 6.976 2 O4'-C1'-N19 117.544 12.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . 0.408 " H4'" ' OP1' ' B' ' 93' ' ' ' DG' . . . . . . . . 3 O4'--C4' 1.393 -4.862 2 P-O3'-C3' 126.117 5.348 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . 0.408 ' OP1' " H4'" ' B' ' 92' ' ' ' DA' . . . . . . . . 2 C5'--C4' 1.593 10.261 0 P-O3'-C3' 124.256 3.797 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.811 2 O4'-C1'-C2' 99.776 -5.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . 0.484 ' HA3' ' HB2' ' P' ' 4' ' ' ARG . . . . . . . . 0 CA--C 1.544 1.905 0 N-CA-C 108.636 -1.785 . . . . 0.0 108.636 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.5 -10.71 9.46 Favored 'Trans proline' 0 C--O 1.195 -1.629 1 C-N-CA 127.431 5.42 . . . . 0.0 113.514 169.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.284 0.0 OUTLIER -137.4 37.85 2.48 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.096 168.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.484 ' HB2' ' HA3' ' P' ' 1' ' ' GLY . 0.9 OUTLIER -150.91 3.65 0.46 Allowed 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 -176.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.288 41.1 p -115.81 88.31 2.86 Favored 'General case' 0 C--O 1.182 -2.495 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -145.41 157.4 44.03 Favored 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.144 2.578 . . . . 0.0 109.768 167.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 89.4 m -55.33 154.84 5.63 Favored 'General case' 0 N--CA 1.52 3.036 0 N-CA-C 116.669 2.099 . . . . 0.0 116.669 -169.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -109.6 120.1 41.44 Favored 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 125.098 1.359 . . . . 0.0 107.961 175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -57.18 178.37 0.07 Allowed 'General case' 0 C--O 1.266 1.972 0 CA-C-O 123.534 1.635 . . . . 0.0 110.735 -171.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -116.8 161.64 18.96 Favored 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 129.718 3.207 . . . . 0.0 113.391 164.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 18.4 m -63.95 -29.14 70.33 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-N 120.065 1.302 . . . . 0.0 112.479 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 30.3 m -60.93 -42.33 97.96 Favored 'General case' 0 C--O 1.269 2.131 0 O-C-N 119.251 -2.156 . . . . 0.0 114.422 165.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -67.0 -45.78 76.54 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -59.72 -39.03 78.61 Favored 'Isoleucine or valine' 0 C--O 1.288 3.088 0 O-C-N 120.156 -1.59 . . . . 0.0 109.751 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.98 89.07 Favored 'General case' 0 C--O 1.183 -2.42 0 O-C-N 118.578 -2.576 . . . . 0.0 116.234 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -61.38 -49.28 77.54 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-O 115.181 -2.343 . . . . 0.0 109.374 171.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.598 HD21 HD11 ' P' ' 39' ' ' LEU . 15.6 mt -53.48 -43.97 68.63 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 117.278 -1.344 . . . . 0.0 111.865 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.37 -58.38 3.8 Favored 'General case' 0 C--O 1.187 -2.193 0 O-C-N 126.061 2.1 . . . . 0.0 112.203 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.33 -35.09 59.83 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.402 87.8 m-70 -82.33 -24.54 34.52 Favored 'General case' 0 CA--C 1.57 1.731 0 O-C-N 117.24 -3.412 . . . . 0.0 114.278 167.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -37.97 82.28 Favored 'General case' 1 N--CA 1.557 4.88 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 165.093 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 90.9 mt -47.37 -27.45 1.65 Allowed 'General case' 0 C--N 1.368 1.397 0 O-C-N 118.561 -2.587 . . . . 0.0 114.398 164.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -100.08 -5.76 27.43 Favored 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 125.471 1.508 . . . . 0.0 115.061 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.18 142.52 7.09 Favored Glycine 0 C--N 1.377 2.811 0 CA-C-O 125.124 2.513 . . . . 0.0 114.293 165.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -82.26 -18.05 43.83 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 117.379 -3.424 . . . . 0.0 117.3 -168.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -141.83 169.93 16.66 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 123.314 1.53 . . . . 0.0 110.67 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.731 HD11 HG12 ' P' ' 46' ' ' VAL . 71.0 mt -82.09 161.02 23.03 Favored 'General case' 0 CA--C 1.459 -2.522 0 O-C-N 119.884 -1.76 . . . . 0.0 113.926 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 74.2 p -137.39 168.81 18.91 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 101.498 -3.519 . . . . 0.0 101.498 160.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.08 14.57 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 120.53 -1.356 . . . . 0.0 110.782 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -69.07 -46.63 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 CA-C-N 123.367 2.238 . . . . 0.0 111.516 173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -48.27 -46.45 35.88 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 128.523 2.729 . . . . 0.0 117.417 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -50.34 73.62 Favored 'General case' 0 CA--C 1.473 -1.983 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 170.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.52 98.2 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 127.804 2.441 . . . . 0.0 112.697 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -70.56 -47.96 57.73 Favored 'General case' 0 C--O 1.193 -1.918 0 CA-C-O 114.38 -2.724 . . . . 0.0 107.883 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -39.85 91.54 Favored 'General case' 0 CA--C 1.613 3.393 0 CA-C-N 122.573 2.442 . . . . 0.0 114.644 173.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 59.3 m -50.94 -47.95 60.93 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.634 1.974 . . . . 0.0 108.232 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.24 -48.51 61.68 Favored 'General case' 1 N--CA 1.375 -4.2 0 O-C-N 121.145 -0.972 . . . . 0.0 110.747 -176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -50.9 -60.0 3.54 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.033 2.933 . . . . 0.0 110.638 175.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.598 HD11 HD21 ' P' ' 17' ' ' LEU . 25.2 mt -62.41 -38.18 88.67 Favored 'General case' 0 N--CA 1.493 1.715 1 C-N-CA 132.62 4.368 . . . . 0.0 116.967 174.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.22 68.83 0.54 Allowed 'General case' 0 CA--C 1.602 2.972 0 O-C-N 126.934 2.646 . . . . 0.0 113.31 -167.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' P' ' 41' ' ' LEU . 14.3 mt -142.8 153.16 42.97 Favored 'General case' 0 CA--C 1.553 1.093 1 O-C-N 129.753 4.408 . . . . 0.0 110.392 -171.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.19 136.38 48.62 Favored Glycine 0 CA--C 1.553 2.407 0 O-C-N 117.578 -3.201 . . . . 0.0 114.055 167.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -58.23 -22.19 51.09 Favored 'General case' 0 CA--C 1.59 2.5 0 N-CA-C 119.17 3.026 . . . . 0.0 119.17 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . 0.264 . . -64.32 -37.03 86.04 Favored 'General case' 0 CA--C 1.565 1.549 0 O-C-N 120.307 -1.496 . . . . 0.0 110.737 164.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.27 -38.85 81.17 Favored 'General case' 0 C--O 1.239 0.517 1 O-C-N 114.841 -4.912 . . . . 0.0 110.654 -171.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.731 HG12 HD11 ' P' ' 27' ' ' LEU . 5.6 t -76.68 -53.18 15.58 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 CA-C-N 120.939 1.699 . . . . 0.0 108.835 -171.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' P' ' 27' ' ' LEU . 53.2 mtmt -41.82 -60.2 1.45 Allowed 'General case' 0 C--O 1.197 -1.658 0 C-N-CA 125.281 1.432 . . . . 0.0 110.244 169.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 57.6 mt -52.09 -38.94 25.11 Favored 'Isoleucine or valine' 0 C--N 1.409 3.181 0 O-C-N 118.277 -2.764 . . . . 0.0 114.899 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -59.15 -59.87 4.78 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 171.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.11 -55.02 35.86 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 125.184 2.421 . . . . 0.0 109.191 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . 0.458 ' HD3' ' C8 ' ' B' ' 85' ' ' ' DG' . 0.7 OUTLIER -52.55 -58.72 5.86 Favored 'General case' 0 CA--C 1.572 1.823 0 C-N-CA 129.539 3.136 . . . . 0.0 109.871 -173.343 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -66.53 -45.34 79.78 Favored 'General case' 0 CA--C 1.601 2.932 0 CA-C-N 122.783 2.538 . . . . 0.0 113.116 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -71.05 -38.01 72.51 Favored 'General case' 0 N--CA 1.413 -2.3 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.227 -170.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.81 91.23 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 125.609 1.563 . . . . 0.0 111.963 166.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.619 HH11 ' HG3' ' P' ' 55' ' ' ARG . 24.3 mmm-85 -52.22 -40.75 62.01 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 127.34 2.256 . . . . 0.0 109.11 170.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.73 -44.57 95.88 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -61.63 -54.06 47.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 127.843 3.214 . . . . 0.0 113.521 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.267 34.7 pttt -69.72 -24.2 63.52 Favored 'General case' 0 N--CA 1.517 2.896 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -67.68 -47.15 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.583 0 CA-C-O 116.07 -1.919 . . . . 0.0 113.469 168.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -56.82 -44.59 82.17 Favored 'General case' 0 C--O 1.285 2.921 0 CA-C-N 119.826 1.194 . . . . 0.0 108.546 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 31.4 m -62.85 -26.77 68.92 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -74.52 -39.82 62.13 Favored 'General case' 0 CA--C 1.59 2.489 0 CA-C-O 118.345 -0.836 . . . . 0.0 113.228 167.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.43 13.74 0.06 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 167.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.293 7.5 m-70 60.16 22.6 11.9 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 175.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -70.43 -13.5 62.16 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 117.637 -3.164 . . . . 0.0 116.71 -172.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -118.86 -0.74 11.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.757 1.286 . . . . 0.0 114.198 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.0 -45.97 89.34 Favored 'General case' 0 N--CA 1.503 2.188 0 N-CA-C 117.745 2.498 . . . . 0.0 117.745 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.185 -2.332 0 C-N-CA 128.165 2.586 . . . . 0.0 113.943 -171.379 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.575 7.949 0 O5'-C5'-C4' 114.567 3.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.795 2 O4'-C1'-C2' 97.955 -7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.581 8.768 1 O5'-C5'-C4' 117.8 5.429 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.385 -5.53 2 O4'-C1'-N19 111.992 5.239 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.578 8.354 3 O4'-C4'-C3' 113.58 7.98 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 O3'--C3' 1.51 6.078 3 O4'-C1'-N19 101.99 -7.263 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.587 9.552 4 P-O3'-C3' 127.028 6.106 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.56 6.065 2 O4'-C1'-N19 112.597 5.997 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.519 -7.396 4 O4'-C1'-C2' 97.45 -7.864 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.563 4.536 1 O5'-C5'-C4' 119.138 6.384 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.324 1 C5'-C4'-O4' 116.288 4.305 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.679 8.636 1 N19-C1'-C2' 121.129 4.331 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.48 -4.785 1 O4'-C1'-N19 116.849 11.311 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.221 3 C1'-O4'-C4' 116.39 4.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.462 -5.593 4 OP1-P-OP2 111.419 -5.454 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.573 7.777 3 O3'-P-O5' 91.408 -6.627 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.458 ' C8 ' ' HD3' ' P' ' 51' ' ' LYS . . . . . . . . 2 C3'--C2' 1.591 7.311 3 P-O3'-C3' 128.606 7.422 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.662 6.917 1 O5'-C5'-C4' 118.627 6.019 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.789 2 O5'-C5'-C4' 118.417 5.869 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.385 -5.542 6 O4'-C1'-N19 115.496 9.62 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.656 6.273 3 O5'-C5'-C4' 117.85 5.464 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.586 9.381 2 O4'-C1'-N19 118.512 13.391 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.457 -6.129 4 C4'-C3'-C2' 96.757 -6.443 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.68 6.096 2 O5'-C5'-C4' 118.58 5.986 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.61 12.429 4 O4'-C1'-N19 118.783 13.729 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.468 2 O4'-C1'-N19 114.106 7.883 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.064 1 CA-C-O 112.604 -4.442 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -87.23 -26.31 0.85 Allowed 'Trans proline' 0 CA--C 1.482 -2.106 1 CA-C-N 125.169 4.485 . . . . 0.0 111.235 -172.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -37.61 70.1 Favored 'General case' 0 C--N 1.373 1.595 0 CA-C-N 121.372 1.896 . . . . 0.0 115.02 -174.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.401 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 0.0 OUTLIER -44.59 137.59 3.74 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 122.246 2.294 . . . . 0.0 114.724 177.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.317 0.6 OUTLIER -59.92 -25.09 64.87 Favored 'General case' 0 N--CA 1.532 3.628 0 C-N-CA 126.801 2.04 . . . . 0.0 115.126 -162.574 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.6 -71.77 0.0 OUTLIER 'General case' 0 C--O 1.275 2.402 0 C-N-CA 127.724 2.409 . . . . 0.0 115.074 -167.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 85.9 m 28.17 111.0 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 119.516 3.154 . . . . 0.0 119.516 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -81.44 109.86 16.31 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 127.417 2.287 . . . . 0.0 110.715 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -74.33 136.01 42.54 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 50.4 p -111.45 162.4 15.12 Favored 'General case' 0 N--CA 1.419 -2.004 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -51.16 -42.28 60.71 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.128 2.171 . . . . 0.0 113.545 176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -52.65 -49.3 65.46 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 125.103 2.382 . . . . 0.0 111.797 174.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -59.44 -47.16 86.52 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 126.124 2.869 . . . . 0.0 113.176 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -60.29 -36.93 71.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 O-C-N 118.613 -2.555 . . . . 0.0 113.885 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.09 62.78 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.241 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -53.45 58.11 Favored 'General case' 0 N--CA 1.412 -2.337 0 C-N-CA 128.151 2.58 . . . . 0.0 108.866 169.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.681 HD13 ' CG ' ' P' ' 49' ' ' TRP . 11.8 mt -61.64 -46.32 90.27 Favored 'General case' 0 C--O 1.261 1.686 0 CA-C-O 115.65 -2.119 . . . . 0.0 108.899 -171.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.37 -47.36 64.51 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -39.34 74.32 Favored 'General case' 0 CA--C 1.577 2.002 0 O-C-N 116.811 -3.681 . . . . 0.0 109.522 -166.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -73.21 -30.67 63.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.284 -2.76 . . . . 0.0 114.615 172.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.12 -46.74 82.39 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.275 2.23 . . . . 0.0 111.492 165.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 60.1 mt -42.99 -46.63 5.54 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-O 115.457 -2.211 . . . . 0.0 113.735 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -70.66 -9.96 58.26 Favored 'General case' 0 CA--C 1.573 1.851 0 O-C-N 127.503 3.002 . . . . 0.0 115.627 173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.08 86.95 0.09 OUTLIER Glycine 0 C--N 1.283 -2.385 1 C-N-CA 130.822 4.058 . . . . 0.0 117.494 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtt85 -67.42 -1.17 4.4 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-N 118.698 1.249 . . . . 0.0 114.167 -169.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -135.38 136.31 41.35 Favored 'General case' 0 C--O 1.274 2.35 0 C-N-CA 122.944 0.498 . . . . 0.0 109.978 170.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' P' ' 27' ' ' LEU . 0.8 OUTLIER -71.06 153.06 42.89 Favored 'General case' 0 C--O 1.267 2.018 0 CA-C-O 122.248 1.023 . . . . 0.0 111.27 -178.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 45.2 p -148.81 164.93 32.97 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 128.379 2.672 . . . . 0.0 106.096 172.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.87 62.34 Favored Pre-proline 0 N--CA 1.512 2.668 0 O-C-N 119.523 -1.986 . . . . 0.0 106.945 -171.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.37 -33.83 8.45 Favored 'Trans proline' 0 C--N 1.41 3.767 0 N-CA-C 116.721 1.777 . . . . 0.0 116.721 176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.0 OUTLIER -65.21 -55.14 20.24 Favored 'General case' 0 C--O 1.209 -1.036 0 CA-C-O 123.705 1.717 . . . . 0.0 111.761 173.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -56.7 5.62 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 127.832 2.453 . . . . 0.0 113.083 169.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.51 80.17 Favored 'General case' 0 C--O 1.207 -1.143 0 C-N-CA 126.479 1.912 . . . . 0.0 110.028 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -74.75 -35.66 62.61 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 114.314 -2.954 . . . . 0.0 110.936 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.77 78.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.831 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -57.34 -38.81 74.7 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 124.971 2.32 . . . . 0.0 113.056 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.2 89.12 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 126.948 2.099 . . . . 0.0 112.36 172.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -78.26 -44.7 24.79 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-N 120.209 1.368 . . . . 0.0 114.66 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' P' ' 17' ' ' LEU 0.259 27.6 mt -69.32 -18.32 63.81 Favored 'General case' 0 CA--C 1.473 -1.984 0 CA-C-O 115.83 -2.033 . . . . 0.0 113.113 174.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.03 46.27 24.63 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.807 1.643 . . . . 0.0 109.835 -168.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.421 HD12 HD13 ' P' ' 39' ' ' LEU . 83.2 mt -107.72 152.29 24.54 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 118.06 -2.9 . . . . 0.0 113.81 172.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.52 136.61 35.94 Favored Glycine 0 CA--C 1.496 -1.138 0 O-C-N 125.572 1.795 . . . . 0.0 115.089 163.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.481 ' O ' ' HE2' ' P' ' 47' ' ' LYS . 19.3 p -58.94 -26.75 64.67 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 116.861 -3.729 . . . . 0.0 116.485 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.16 78.12 Favored 'General case' 0 C--O 1.199 -1.563 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 159.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.54 -25.6 66.74 Favored 'General case' 0 C--O 1.269 2.1 0 O-C-N 116.718 -3.739 . . . . 0.0 115.934 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -37.97 51.55 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 CA-C-N 124.441 3.291 . . . . 0.0 113.164 173.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' P' ' 43' ' ' THR . 33.2 mtmt -65.67 -47.01 76.95 Favored 'General case' 0 N--CA 1.509 2.48 0 CA-C-O 114.535 -2.65 . . . . 0.0 108.645 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -58.57 -45.67 90.34 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 CA-C-N 121.381 1.9 . . . . 0.0 111.069 171.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.681 ' CG ' HD13 ' P' ' 17' ' ' LEU . 38.6 t90 -64.62 -50.95 65.12 Favored 'General case' 0 C--O 1.195 -1.782 0 CA-C-N 122.371 2.351 . . . . 0.0 112.788 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -55.54 -44.05 76.39 Favored 'General case' 0 CA--C 1.582 2.202 0 O-C-N 126.289 2.243 . . . . 0.0 111.993 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -64.97 -47.63 76.91 Favored 'General case' 0 C--O 1.249 1.043 0 C-N-CA 125.929 1.692 . . . . 0.0 109.099 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -31.37 69.23 Favored 'General case' 0 N--CA 1.412 -2.366 0 CA-C-O 114.664 -2.589 . . . . 0.0 115.266 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -56.08 -54.0 50.27 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -56.84 16.61 Favored 'General case' 0 N--CA 1.527 3.421 0 O-C-N 121.158 -0.964 . . . . 0.0 111.201 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -50.81 -52.56 40.01 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 126.916 2.086 . . . . 0.0 111.63 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -60.37 -44.56 95.5 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 119.093 2.997 . . . . 0.0 119.093 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -60.92 -49.39 77.66 Favored 'General case' 0 C--O 1.202 -1.416 0 O-C-N 127.317 2.886 . . . . 0.0 109.284 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.318 7.8 ptpt -58.66 -39.91 81.98 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 117.941 -2.974 . . . . 0.0 113.602 171.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . 0.404 HG21 HD13 ' P' ' 59' ' ' ILE . 67.9 mt -74.6 -47.14 40.23 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 CA-C-O 123.44 1.591 . . . . 0.0 114.415 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . 0.265 60.8 mm-40 -64.69 -38.74 92.02 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 123.897 1.808 . . . . 0.0 112.652 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 26.7 m -60.56 -12.69 10.68 Favored 'General case' 0 CA--C 1.567 1.63 0 O-C-N 117.08 -3.513 . . . . 0.0 109.284 168.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -109.67 1.38 19.49 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 120.796 1.634 . . . . 0.0 110.197 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . 0.319 4.3 pt20 -146.68 -10.06 0.47 Allowed 'General case' 0 C--O 1.253 1.254 0 N-CA-C 121.641 3.941 . . . . 0.0 121.641 -173.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -68.98 156.48 38.52 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 126.389 2.995 . . . . 0.0 111.59 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -131.11 163.52 27.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 116.901 -3.625 . . . . 0.0 110.67 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 44.19 38.28 2.3 Favored 'General case' 0 N--CA 1.53 3.529 0 C-N-CA 128.992 2.917 . . . . 0.0 114.989 172.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -55.18 130.37 41.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-N 120.769 1.622 . . . . 0.0 112.836 173.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.275 2.439 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 166.035 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.46 -5.802 0 O4'-C1'-N19 110.498 3.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . 0.49 ' H42' ' H1 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 2 C3'--C2' 1.572 5.36 2 O4'-C1'-N19 101.791 -7.511 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.472 -4.606 1 O4'-C1'-N19 114.891 8.863 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.96 0 O4'-C1'-N19 109.886 2.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.38 -3.944 2 O4'-C1'-N19 112.392 5.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.572 4.35 0 O5'-C5'-C4' 115.05 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.401 2 C3'-C2'-C1' 108.435 4.096 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.573 5.48 2 O5'-C5'-C4' 120.533 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.622 9.396 1 O4'-C1'-N19 111.72 4.9 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.506 6.62 0 N19-C1'-C2' 120.459 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.662 4.584 2 P-O3'-C3' 125.874 5.145 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.472 -5.6 4 P-O3'-C3' 127.613 6.594 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.559 -3.377 1 O4'-C1'-C2' 100.561 -5.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.582 4.379 2 N19-C1'-C2' 120.991 4.245 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.592 10.116 5 C4'-C3'-C2' 96.953 -6.247 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.576 5.789 6 O4'-C1'-N19 113.171 6.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.597 10.773 3 O4'-C1'-N19 119.214 14.267 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.468 -4.967 1 O4'-C1'-C2' 111.546 4.951 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.364 -5.173 2 P-O3'-C3' 129.909 8.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 6.478 2 C5'-C4'-O4' 120.294 6.809 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.596 6.814 2 C4'-C3'-C2' 97.444 -5.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.564 -2.866 0 O5'-C5'-C4' 115.723 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.401 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 1 O4'--C4' 1.369 -7.023 2 C3'-C2'-C1' 94.372 -5.949 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.576 8.066 3 O4'-C1'-N19 113.779 7.474 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . 0.49 ' H1 ' ' H42' ' A' ' 70' ' ' ' DC' . . . . . . . . 3 O4'--C4' 1.385 -5.509 5 O5'-C5'-C4' 120.781 7.558 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . 0.428 ' C2 ' ' C2 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.572 5.394 2 O4'-C4'-C3' 110.261 4.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.476 -2.365 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.266 13.1 Cg_endo -61.32 -9.77 13.86 Favored 'Trans proline' 0 N--CA 1.489 1.243 1 C-N-CA 125.901 4.401 . . . . 0.0 114.168 -172.75 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -62.82 -21.88 66.23 Favored 'General case' 0 N--CA 1.526 3.349 0 O-C-N 118.097 -2.877 . . . . 0.0 116.566 162.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 170.28 0.22 Allowed 'General case' 0 CA--C 1.604 3.049 0 C-N-CA 125.6 1.56 . . . . 0.0 114.386 -176.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 4.1 t -162.8 168.64 21.12 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.731 2.813 . . . . 0.0 113.277 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -140.11 -171.43 3.18 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 126.793 2.558 . . . . 0.0 114.095 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 23.8 m -146.8 130.92 17.34 Favored 'General case' 0 C--O 1.266 1.938 0 C-N-CA 129.998 3.319 . . . . 0.0 111.943 -164.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -83.3 117.87 23.28 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 124.846 1.341 . . . . 0.0 112.359 165.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.44 156.41 18.68 Favored 'General case' 0 C--O 1.285 2.972 0 O-C-N 117.112 -3.492 . . . . 0.0 115.616 178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -134.1 167.42 20.69 Favored 'General case' 0 N--CA 1.499 1.988 0 CA-C-O 125.739 2.685 . . . . 0.0 109.18 177.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -60.41 -44.37 95.8 Favored 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 128.134 2.574 . . . . 0.0 111.973 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m -55.57 -36.79 67.25 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 118.83 -2.419 . . . . 0.0 112.563 172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.78 HE22 HD21 ' P' ' 41' ' ' LEU . 73.3 mt-30 -76.74 -55.4 5.53 Favored 'General case' 0 CA--C 1.479 -1.766 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -174.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -54.76 -27.19 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 119.938 -1.726 . . . . 0.0 110.413 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -52.64 52.77 Favored 'General case' 0 N--CA 1.491 1.618 1 O-C-N 116.028 -4.17 . . . . 0.0 113.263 175.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.74 -43.72 98.29 Favored 'General case' 0 C--O 1.199 -1.591 0 CA-C-O 116.65 -1.643 . . . . 0.0 110.526 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.12 -52.64 64.46 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 127.195 2.809 . . . . 0.0 108.609 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -52.45 -41.99 63.78 Favored 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 116.27 -1.824 . . . . 0.0 115.675 164.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -63.51 -46.9 83.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 125.162 1.538 . . . . 0.0 114.581 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -77.26 -31.19 54.81 Favored 'General case' 0 C--N 1.27 -2.886 0 N-CA-C 117.23 2.307 . . . . 0.0 117.23 173.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' P' ' 21' ' ' PHE . 0.0 OUTLIER -51.07 -34.26 29.33 Favored 'General case' 0 CA--C 1.617 3.549 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 164.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 mt -54.26 -24.07 17.37 Favored 'General case' 0 CA--C 1.488 -1.412 0 CA-C-O 122.195 0.998 . . . . 0.0 113.043 177.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -108.12 -12.24 15.15 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 127.125 2.17 . . . . 0.0 111.894 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.56 72.41 0.23 Allowed Glycine 0 C--O 1.172 -3.772 0 C-N-CA 125.026 1.298 . . . . 0.0 115.395 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -57.04 -19.14 17.11 Favored 'General case' 0 C--O 1.287 3.035 0 CA-C-O 114.441 -2.695 . . . . 0.0 116.293 -176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -127.3 125.92 41.71 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 130.118 3.367 . . . . 0.0 115.809 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.476 HD22 ' H ' ' P' ' 27' ' ' LEU . 2.3 mm? -61.63 160.91 10.65 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 117.178 -1.809 . . . . 0.0 114.394 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 9.3 p -159.75 165.39 32.59 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 128.827 3.829 . . . . 0.0 102.631 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.43 75.14 Favored Pre-proline 0 CA--C 1.574 1.88 0 C-N-CA 116.409 -2.117 . . . . 0.0 114.126 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.05 -43.48 53.28 Favored 'Trans proline' 0 CA--C 1.586 3.086 0 C-N-CA 123.098 2.532 . . . . 0.0 112.149 170.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -54.74 29.15 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 125.631 2.634 . . . . 0.0 110.774 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.504 HD21 ' O ' ' P' ' 43' ' ' THR 0.259 1.6 tt -49.41 -50.89 38.63 Favored 'General case' 0 N--CA 1.423 -1.811 0 C-N-CA 131.48 3.912 . . . . 0.0 115.887 175.004 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.86 -47.38 46.57 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.111 1.765 . . . . 0.0 109.999 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.1 -49.36 77.22 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -41.96 95.19 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -59.58 -36.49 76.35 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 122.012 2.187 . . . . 0.0 112.905 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.94 -49.84 16.64 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 168.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -61.67 -49.71 75.4 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 118.075 -2.891 . . . . 0.0 112.68 -177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' P' ' 13' ' ' GLN . 1.9 mm? -69.46 -20.13 63.76 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.334 . . 55.96 58.46 4.38 Favored 'General case' 0 C--O 1.268 2.071 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -165.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.78 HD21 HE22 ' P' ' 13' ' ' GLN . 5.1 mt -136.4 175.08 9.93 Favored 'General case' 0 C--O 1.285 2.957 0 CA-C-O 124.499 2.095 . . . . 0.0 107.577 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.86 161.48 54.44 Favored Glycine 0 N--CA 1.402 -3.626 0 O-C-N 118.74 -2.475 . . . . 0.0 114.161 168.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.504 ' O ' HD21 ' P' ' 32' ' ' LEU . 3.1 p -61.81 -38.91 89.88 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 117.911 2.56 . . . . 0.0 117.911 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -44.91 82.72 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 127.342 2.257 . . . . 0.0 110.013 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -61.46 -30.2 70.44 Favored 'General case' 0 CA--C 1.482 -1.67 0 N-CA-C 117.095 2.257 . . . . 0.0 117.095 178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.73 -44.15 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.604 0 C-N-CA 118.491 -1.284 . . . . 0.0 109.287 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.402 ' CD ' HD11 ' P' ' 32' ' ' LEU . 39.1 mtmt -59.38 -57.21 13.97 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 118.568 -2.583 . . . . 0.0 109.488 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . 0.359 39.0 mt -49.78 -37.47 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 117.869 -3.02 . . . . 0.0 106.489 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' P' ' 50' ' ' PHE . 27.5 t90 -63.45 -58.04 8.31 Favored 'General case' 0 C--N 1.378 1.832 1 CA-C-O 110.661 -4.495 . . . . 0.0 109.536 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' P' ' 27' ' ' LEU . 5.2 m-85 -65.14 -28.46 69.43 Favored 'General case' 0 CA--C 1.618 3.569 0 O-C-N 128.414 3.571 . . . . 0.0 111.989 -169.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -62.76 -55.44 26.56 Favored 'General case' 0 N--CA 1.505 2.324 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.872 169.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.78 -32.96 74.59 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 114.094 -3.042 . . . . 0.0 110.763 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -50.41 -52.9 33.51 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 118.144 -2.848 . . . . 0.0 111.933 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . 0.465 ' HD2' ' OP2' ' B' ' 85' ' ' ' DG' . 33.1 mtt180 -68.34 -47.65 66.94 Favored 'General case' 0 C--O 1.197 -1.668 0 O-C-N 126.718 2.511 . . . . 0.0 115.426 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -54.32 -52.25 62.13 Favored 'General case' 0 C--N 1.37 1.479 0 CA-C-O 117.155 -1.402 . . . . 0.0 112.093 176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 ttp-105 -47.16 -57.64 4.91 Favored 'General case' 0 C--N 1.287 -2.114 0 C-N-CA 131.454 3.902 . . . . 0.0 113.295 166.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -55.47 -55.31 33.2 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 115.517 -2.182 . . . . 0.0 112.758 177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -63.51 -39.35 94.2 Favored 'General case' 0 C--O 1.261 1.686 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.3 mt -57.57 -43.67 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 CA-C-O 124.02 1.867 . . . . 0.0 112.06 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.67 -35.23 72.24 Favored 'General case' 0 N--CA 1.51 2.549 0 CA-C-N 112.571 -2.104 . . . . 0.0 114.21 173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 33.8 m -70.99 -20.84 62.38 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 125.106 1.504 . . . . 0.0 113.45 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 20.61 3.79 Favored 'General case' 0 CA--C 1.597 2.763 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 173.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -127.58 172.72 10.49 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 127.867 2.467 . . . . 0.0 109.267 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -59.44 157.41 11.28 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 128.101 2.56 . . . . 0.0 109.334 176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -137.45 52.69 1.89 Allowed 'General case' 0 C--O 1.202 -1.417 0 C-N-CA 126.153 1.781 . . . . 0.0 110.201 -171.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -138.11 2.78 2.36 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 127.03 2.132 . . . . 0.0 112.207 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -130.67 -6.9 4.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 116.523 -3.861 . . . . 0.0 114.546 -166.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.254 1.3 0 C-N-CA 130.461 3.504 . . . . 0.0 109.73 -179.164 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.579 6.145 3 O4'-C4'-C3' 111.321 5.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.568 4.984 5 P-O3'-C3' 128.713 7.511 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.591 6.264 2 C4'-C3'-C2' 97.288 -5.912 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.554 5.435 4 O4'-C4'-C3' 111.14 5.54 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.66 6.691 3 C4'-C3'-C2' 97.986 -5.214 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.536 -5.702 2 O3'-P-O5' 95.517 -4.465 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . 0.407 " H2'" ' H71' ' A' ' 76' ' ' ' DT' . . . . . . . . 3 O4'--C4' 1.368 -7.086 3 O5'-C5'-C4' 117.831 5.45 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . 0.407 ' H71' " H2'" ' A' ' 75' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.546 4.376 4 O4'-C1'-N19 116.894 11.368 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.448 -6.961 2 O5'-C5'-C4' 118.026 5.59 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 3 C5'-C4'-O4' 117.708 5.193 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.433 3 O4'-C1'-N19 115.289 9.361 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.465 -5.27 3 O4'-C4'-C3' 111.275 5.675 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.574 7.922 2 O5'-C5'-C4' 118.56 5.971 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.603 11.527 2 C5'-C4'-O4' 118.192 5.495 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.584 9.083 4 C5'-C4'-O4' 118.574 5.734 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 4.07 0 O4'-C1'-N19 104.658 -3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.465 ' OP2' ' HD2' ' P' ' 54' ' ' ARG . . . . . . . . 2 P--O3' 1.536 -5.885 0 C5'-C4'-C3' 109.15 -3.7 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.655 6.181 2 N19-C1'-C2' 122.406 5.129 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.593 2 O4'-C1'-N19 114.149 7.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.374 -6.533 3 O3'-P-O5' 93.045 -5.766 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.143 3 O4'-C4'-C3' 112.34 6.74 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C3'--C2' 1.594 7.558 6 C4'-C3'-C2' 96.538 -6.662 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O5'--C5' 1.314 -7.854 4 O5'-C5'-C4' 120.551 7.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.608 8.039 3 C4'-C3'-O3' 97.465 -5.834 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 6 O4'--C4' 1.343 -9.404 3 O4'-C1'-N19 113.997 7.746 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.577 5.86 2 P-O3'-C3' 126.943 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . 0.498 ' HA2' ' N3 ' ' B' ' 90' ' ' ' DA' . . . . . . . . 1 CA--C 1.608 5.901 1 CA-C-O 108.795 -6.558 . . . . 0.0 111.107 . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.25 72.3 Cg_exo -38.51 -60.72 0.44 Allowed 'Trans proline' 0 C--O 1.178 -2.512 2 N-CA-C 125.018 4.969 . . . . 0.0 125.018 -165.901 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -57.15 -26.01 59.84 Favored 'General case' 0 CA--C 1.473 -2.009 0 O-C-N 119.827 -1.796 . . . . 0.0 113.51 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' P' ' 4' ' ' ARG . 0.0 OUTLIER -45.09 -42.09 8.41 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 119.916 3.302 . . . . 0.0 119.916 -169.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 6.1 t -44.66 164.0 0.02 OUTLIER 'General case' 0 C--O 1.189 -2.093 0 O-C-N 118.681 -2.512 . . . . 0.0 113.91 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 41.0 mmt-85 -70.33 -15.23 62.85 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.71 132.29 9.41 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 124.947 1.299 . . . . 0.0 112.479 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -86.6 124.25 32.68 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.817 175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -59.15 161.19 5.49 Favored 'General case' 0 N--CA 1.516 2.827 0 CA-C-O 123.119 1.437 . . . . 0.0 114.308 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 18.3 p -120.06 166.2 13.7 Favored 'General case' 0 N--CA 1.409 -2.476 0 C-N-CA 128.902 2.881 . . . . 0.0 111.304 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -72.26 -25.79 61.75 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 115.847 -2.025 . . . . 0.0 112.475 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -62.75 -33.1 74.45 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.262 1.846 . . . . 0.0 112.399 165.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -73.66 -45.58 51.77 Favored 'General case' 0 C--O 1.191 -1.986 0 O-C-N 117.456 -3.278 . . . . 0.0 112.145 174.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.78 -29.11 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -47.02 86.62 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 115.738 -2.077 . . . . 0.0 110.515 174.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -51.14 71.06 Favored 'General case' 0 N--CA 1.41 -2.439 0 CA-C-O 124.123 1.916 . . . . 0.0 115.367 168.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.527 HD21 HD11 ' P' ' 39' ' ' LEU . 7.5 mt -58.93 -39.54 81.89 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 118.945 -2.347 . . . . 0.0 111.468 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.18 -38.88 82.51 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 173.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.97 -40.09 60.94 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 115.381 -2.247 . . . . 0.0 112.173 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.41 -25.1 54.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 121.072 1.76 . . . . 0.0 112.423 174.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -61.05 -36.81 80.56 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 118.579 -2.576 . . . . 0.0 112.87 167.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -48.93 -32.71 9.48 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 121.378 1.899 . . . . 0.0 112.748 168.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -82.09 -17.38 46.75 Favored 'General case' 0 CA--C 1.599 2.847 0 C-N-CA 129.02 2.928 . . . . 0.0 114.211 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.72 123.32 1.01 Allowed Glycine 0 CA--C 1.545 1.91 0 CA-C-O 126.07 3.039 . . . . 0.0 110.339 170.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -77.75 -13.31 59.93 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 112.367 -1.917 . . . . 0.0 112.438 -167.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.25 172.44 12.73 Favored 'General case' 0 N--CA 1.516 2.873 0 C-N-CA 126.987 2.115 . . . . 0.0 114.313 167.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.48 159.22 16.05 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 128.283 3.897 . . . . 0.0 113.848 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.441 ' HB ' ' HD2' ' P' ' 30' ' ' PRO . 16.2 p -146.41 175.61 10.42 Favored 'General case' 0 C--N 1.299 -1.597 2 CA-C-N 106.728 -4.76 . . . . 0.0 103.589 166.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' P' ' 30' ' ' PRO . . . -63.28 -37.89 35.54 Favored Pre-proline 0 N--CA 1.518 2.947 0 CA-C-N 120.821 1.646 . . . . 0.0 112.206 175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' P' ' 29' ' ' ALA . 9.8 Cg_endo -64.27 -42.73 16.68 Favored 'Trans proline' 0 N--CA 1.424 -2.583 0 CA-C-N 120.929 1.368 . . . . 0.0 114.091 176.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -49.68 72.59 Favored 'General case' 0 N--CA 1.52 3.032 0 O-C-N 117.161 -3.462 . . . . 0.0 110.543 172.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' P' ' 47' ' ' LYS . 0.4 OUTLIER -61.55 -39.27 90.49 Favored 'General case' 0 CA--C 1.586 2.341 0 O-C-N 125.085 1.491 . . . . 0.0 111.575 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -54.09 43.97 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 127.807 2.443 . . . . 0.0 108.807 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' P' ' 38' ' ' LYS . 18.7 t70 -59.6 -54.39 47.07 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 120.032 1.287 . . . . 0.0 111.66 -173.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' P' ' 39' ' ' LEU . 0.4 OUTLIER -74.94 -33.84 62.01 Favored 'General case' 0 CA--C 1.445 -3.077 0 CA-C-O 112.664 -3.541 . . . . 0.0 108.615 -170.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 6.8 p -66.82 -40.38 88.0 Favored 'General case' 0 N--CA 1.508 2.446 0 CA-C-N 123.399 2.818 . . . . 0.0 108.172 173.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.43 82.78 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 126.18 2.175 . . . . 0.0 114.288 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' P' ' 34' ' ' ASP . 26.6 mtmt -82.84 -36.32 25.59 Favored 'General case' 0 C--O 1.248 0.995 0 C-N-CA 131.067 3.747 . . . . 0.0 111.137 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.748 HD13 HD12 ' P' ' 41' ' ' LEU 0.285 10.1 mt -70.57 -30.63 67.38 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 167.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.19 70.04 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 129.872 3.269 . . . . 0.0 111.069 -163.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.748 HD12 HD13 ' P' ' 39' ' ' LEU . 97.9 mt -130.88 -178.93 5.03 Favored 'General case' 0 C--N 1.272 -2.771 0 C-N-CA 126.557 1.943 . . . . 0.0 111.52 170.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.87 152.94 49.53 Favored Glycine 0 C--N 1.377 2.844 0 N-CA-C 107.211 -2.356 . . . . 0.0 107.211 160.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -65.33 -29.61 70.37 Favored 'General case' 0 C--O 1.275 2.419 1 O-C-N 113.254 -5.851 . . . . 0.0 112.783 175.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.57 -21.85 64.5 Favored 'General case' 0 C--O 1.295 3.499 0 CA-C-O 125.744 2.688 . . . . 0.0 111.969 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.5 -32.98 73.33 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 116.605 -3.81 . . . . 0.0 107.15 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.87 -47.46 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.168 0 O-C-N 119.408 -2.058 . . . . 0.0 110.047 174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' P' ' 32' ' ' LEU . 0.1 OUTLIER -49.17 -46.8 45.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 126.776 2.547 . . . . 0.0 116.926 170.29 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 mt -68.68 -53.62 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 128.58 2.752 . . . . 0.0 107.111 173.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.288 28.0 t90 -46.29 -59.83 2.69 Favored 'General case' 0 C--O 1.281 2.745 0 CA-C-O 123.498 1.618 . . . . 0.0 111.462 176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -68.8 -51.22 43.23 Favored 'General case' 0 C--O 1.271 2.196 0 O-C-N 120.15 -1.594 . . . . 0.0 108.09 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -49.54 -51.22 38.14 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 119.488 1.04 . . . . 0.0 111.908 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -63.86 -49.33 73.19 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 129.551 3.14 . . . . 0.0 113.284 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -52.22 37.6 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 121.832 2.105 . . . . 0.0 109.92 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -46.52 88.16 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 119.898 -1.751 . . . . 0.0 109.603 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.511 ' HD3' ' OP2' ' B' ' 86' ' ' ' DG' . 0.7 OUTLIER -48.87 -51.81 27.72 Favored 'General case' 0 C--O 1.272 2.24 0 CA-C-O 123.227 1.489 . . . . 0.0 112.587 172.075 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 16.1 ttm105 -62.89 -38.91 92.77 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 114.385 -1.28 . . . . 0.0 112.387 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -63.79 -63.02 1.28 Allowed 'General case' 0 N--CA 1.399 -2.996 0 CA-C-O 122.216 1.008 . . . . 0.0 111.243 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.69 -33.34 55.07 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 118.358 -2.714 . . . . 0.0 109.473 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 mt -68.53 -45.18 82.27 Favored 'Isoleucine or valine' 0 C--O 1.26 1.657 0 O-C-N 117.916 -2.99 . . . . 0.0 110.331 176.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -62.08 -38.57 89.32 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 126.217 2.198 . . . . 0.0 114.06 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -60.99 -33.91 73.96 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.847 -2.408 . . . . 0.0 110.401 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -73.02 -45.2 59.14 Favored 'General case' 0 C--O 1.188 -2.138 0 CA-C-N 122.508 2.413 . . . . 0.0 110.22 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -67.9 4.6 1.11 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 169.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.328 1.8 m-70 54.28 50.05 17.21 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 127.288 2.235 . . . . 0.0 112.65 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -114.7 165.96 12.25 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 127.973 2.509 . . . . 0.0 109.462 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -115.6 172.66 6.98 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 123.171 1.462 . . . . 0.0 114.038 171.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -140.64 -7.43 1.12 Allowed 'General case' 0 CA--C 1.561 1.394 0 O-C-N 118.651 -2.53 . . . . 0.0 113.012 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.254 1.335 0 CA-C-N 124.515 3.325 . . . . 0.0 111.737 178.315 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.378 -3.871 2 O4'-C1'-N19 104.305 -4.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.549 -4.41 3 O4'-C1'-C2' 114.844 7.949 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.557 5.729 2 O4'-C1'-N19 118.357 13.197 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.593 7.524 2 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.495 -9.755 2 O4'-C1'-N19 117.385 11.981 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.689 0 O5'-C5'-C4' 115.72 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 3 O4'-C1'-N19 100.863 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.562 -3.757 3 O4'-C1'-N19 112.588 5.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.581 5.31 5 C3'-C2'-C1' 94.237 -6.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.598 7.961 3 O4'-C1'-C2' 115.49 8.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.643 4.975 4 P-O3'-C3' 126.344 5.536 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.467 -5.112 6 O4'-C4'-C3' 113.752 8.152 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.523 -7.005 2 O5'-C5'-C4' 118.257 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.592 10.153 3 O4'-C1'-N19 102.359 -6.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.605 7.688 4 C4'-C3'-C2' 95.973 -7.227 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.599 10.941 3 O4'-C1'-N19 113.989 7.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.485 " H1'" ' C8 ' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 P--O5' 1.635 4.167 0 C1'-O4'-C4' 105.345 -3.111 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.511 ' OP2' ' HD3' ' P' ' 55' ' ' ARG . . . . . . . . 0 O4'--C4' 1.477 2.853 2 O4'-C1'-N19 116.224 10.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.596 10.68 1 O4'-C4'-C3' 110.018 4.418 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.584 9.141 2 O4'-C4'-C3' 112.066 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.967 2 O4'-C1'-N19 113.422 7.028 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . 0.498 ' N3 ' ' HA2' ' P' ' 1' ' ' GLY . . . . . . . . 1 C3'--C2' 1.466 -5.167 1 P-O3'-C3' 125.527 4.856 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.599 7.089 3 C5'-C4'-C3' 122.47 5.18 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.345 -5.929 3 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C1' 1.494 5.665 1 O4'-C1'-C2' 97.961 -7.399 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.515 -7.835 2 P-O3'-C3' 126.063 5.302 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.138 0 CA-C-O 118.387 -1.229 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -73.57 -14.08 24.82 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.134 1.89 . . . . 0.0 114.838 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . 0.413 0.0 OUTLIER -109.87 -5.89 15.39 Favored 'General case' 0 C--N 1.366 1.297 0 N-CA-C 119.155 3.02 . . . . 0.0 119.155 163.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 146.65 9.43 Favored 'General case' 0 N--CA 1.534 3.746 0 CA-C-N 120.176 1.353 . . . . 0.0 109.848 168.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 9.0 t -170.49 -155.07 0.11 Allowed 'General case' 0 C--O 1.265 1.917 0 O-C-N 125.208 1.568 . . . . 0.0 110.995 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.68 165.03 17.93 Favored 'General case' 0 C--N 1.364 1.219 1 O-C-N 116.007 -4.183 . . . . 0.0 116.065 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 55.0 m -123.94 150.04 45.22 Favored 'General case' 0 C--O 1.269 2.13 0 CA-C-O 126.301 2.953 . . . . 0.0 105.745 163.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -124.86 86.59 2.58 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 116.49 -3.881 . . . . 0.0 108.101 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -71.86 161.9 30.26 Favored 'General case' 0 N--CA 1.402 -2.871 0 CA-C-N 112.322 -2.217 . . . . 0.0 113.975 -167.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 17.4 p -100.26 155.48 17.75 Favored 'General case' 0 C--N 1.395 2.544 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -54.74 -41.05 69.94 Favored 'General case' 0 N--CA 1.516 2.861 0 CA-C-O 115.265 -2.302 . . . . 0.0 110.125 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -55.23 -41.12 71.69 Favored 'General case' 0 C--O 1.184 -2.391 0 C-N-CA 128.056 2.542 . . . . 0.0 116.019 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.417 ' HA ' ' CD1' ' P' ' 39' ' ' LEU . 79.1 mt-30 -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 125.301 1.626 . . . . 0.0 109.914 171.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.25 -37.0 76.57 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.666 0 O-C-N 128.055 3.347 . . . . 0.0 110.652 174.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.72 90.18 Favored 'General case' 0 CA--C 1.598 2.816 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.807 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.1 mm-40 -56.56 -50.87 70.63 Favored 'General case' 0 C--N 1.275 -2.649 0 C-N-CA 129.196 2.998 . . . . 0.0 109.082 172.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' P' ' 49' ' ' TRP . 13.0 mt -63.49 -56.81 13.15 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 126.839 2.056 . . . . 0.0 107.727 -167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' P' ' 22' ' ' LEU . 6.2 mm-40 -55.12 -31.73 61.49 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -70.05 -57.5 4.91 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 126.263 1.825 . . . . 0.0 111.076 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.559 ' HB2' HD11 ' P' ' 35' ' ' LEU . 87.8 m-70 -65.25 -32.36 73.98 Favored 'General case' 0 C--O 1.187 -2.197 0 CA-C-O 117.075 -1.44 . . . . 0.0 108.701 173.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.41 -38.27 80.16 Favored 'General case' 0 C--O 1.279 2.653 0 CA-C-N 123.12 2.691 . . . . 0.0 114.53 166.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' P' ' 18' ' ' GLU . 30.6 mt -52.18 -35.74 49.84 Favored 'General case' 0 CA--C 1.574 1.884 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.994 170.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -91.79 -16.0 27.46 Favored 'General case' 0 CA--C 1.59 2.515 1 O-C-N 116.294 -4.004 . . . . 0.0 108.57 -170.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.55 0.24 Allowed Glycine 0 N--CA 1.506 3.326 0 O-C-N 120.587 -1.321 . . . . 0.0 111.041 171.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -23.05 66.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 128.883 2.873 . . . . 0.0 116.149 -164.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.86 146.04 50.43 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 131.518 3.927 . . . . 0.0 109.556 175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' P' ' 50' ' ' PHE . 2.2 mm? -71.41 160.64 32.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 126.365 2.983 . . . . 0.0 116.352 167.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 56.2 p -142.38 159.0 43.1 Favored 'General case' 0 N--CA 1.511 2.578 1 CA-C-N 106.607 -4.815 . . . . 0.0 104.978 166.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.6 16.52 Favored Pre-proline 0 N--CA 1.415 -2.19 0 O-C-N 127.474 2.984 . . . . 0.0 114.989 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.3 -44.29 50.39 Favored 'Trans proline' 0 CA--C 1.585 3.029 0 N-CA-C 118.546 2.479 . . . . 0.0 118.546 165.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.455 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.1 OUTLIER -65.85 -48.32 72.02 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 118.539 -2.601 . . . . 0.0 108.265 -173.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.447 ' CD1' ' HG ' ' P' ' 27' ' ' LEU . 11.5 tp -57.73 -51.18 70.62 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 131.182 3.793 . . . . 0.0 109.806 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.09 -38.91 63.73 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 115.485 -2.198 . . . . 0.0 108.982 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.78 -53.45 58.04 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-N 121.891 2.132 . . . . 0.0 115.269 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' P' ' 20' ' ' HIS 0.307 0.0 OUTLIER -56.68 -39.53 73.96 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 119.828 -1.795 . . . . 0.0 112.14 170.201 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -56.65 -43.89 80.77 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 125.97 2.043 . . . . 0.0 110.127 -174.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.52 95.95 Favored 'General case' 0 C--O 1.202 -1.438 0 C-N-CA 125.061 1.345 . . . . 0.0 111.172 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -80.86 -43.98 19.09 Favored 'General case' 0 C--N 1.395 2.57 0 CA-C-N 120.894 1.679 . . . . 0.0 111.283 -167.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.3 mm? -74.45 -21.85 59.4 Favored 'General case' 0 N--CA 1.502 2.153 0 CA-C-O 114.342 -2.742 . . . . 0.0 110.699 177.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.96 71.67 0.52 Allowed 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 126.999 2.119 . . . . 0.0 110.215 -161.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' P' ' 41' ' ' LEU . 30.8 mt -139.25 164.92 28.54 Favored 'General case' 0 CA--C 1.604 3.04 0 O-C-N 118.258 -2.776 . . . . 0.0 114.448 -174.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.56 145.83 46.18 Favored Glycine 0 CA--C 1.551 2.306 0 CA-C-O 116.377 -2.346 . . . . 0.0 109.638 168.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -45.08 73.49 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 123.83 3.815 . . . . 0.0 108.92 174.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.53 73.48 Favored 'General case' 0 CA--C 1.595 2.678 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.96 -35.01 77.2 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.071 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.409 ' HB ' HD12 ' P' ' 32' ' ' LEU . 4.2 t -70.47 -44.48 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 118.138 -2.851 . . . . 0.0 112.581 -178.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -50.53 -58.68 5.23 Favored 'General case' 0 N--CA 1.532 3.673 0 O-C-N 121.268 -0.895 . . . . 0.0 108.751 169.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.43 -32.19 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.664 0 O-C-N 126.074 2.109 . . . . 0.0 112.31 -169.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' P' ' 17' ' ' LEU . 30.3 t90 -65.16 -48.89 71.94 Favored 'General case' 0 N--CA 1.41 -2.464 0 O-C-N 118.129 -2.857 . . . . 0.0 112.9 171.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' P' ' 27' ' ' LEU . 7.9 m-85 -57.87 -40.28 79.82 Favored 'General case' 0 C--O 1.268 2.064 0 C-N-CA 116.043 -2.263 . . . . 0.0 113.822 166.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . 0.429 ' HD3' ' C8 ' ' B' ' 85' ' ' ' DG' . 0.6 OUTLIER -57.88 -53.5 57.55 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 112.765 -3.493 . . . . 0.0 112.347 -178.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.266 10.9 p30 -66.63 -43.37 84.89 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 121.516 1.962 . . . . 0.0 111.24 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.7 -54.82 37.4 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 117.268 -1.349 . . . . 0.0 109.208 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -42.31 90.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 121.696 2.043 . . . . 0.0 109.057 -177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' P' ' 55' ' ' ARG . 9.8 tpt180 -62.73 -50.99 68.93 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-O 126.486 3.041 . . . . 0.0 115.125 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -57.57 -46.56 83.81 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 112.887 -1.96 . . . . 0.0 114.124 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -65.05 -45.69 84.32 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -62.02 -47.25 85.59 Favored 'General case' 0 C--O 1.191 -1.985 0 C-N-CA 124.455 1.102 . . . . 0.0 111.079 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 38.5 mt -57.68 -59.68 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 117.548 -3.22 . . . . 0.0 114.565 173.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -46.07 -49.68 16.09 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 130.251 3.42 . . . . 0.0 113.684 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -69.6 -5.45 24.61 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 174.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -96.64 -1.76 46.12 Favored 'General case' 0 C--O 1.251 1.165 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 166.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -118.88 -37.65 3.21 Favored 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -79.18 -4.88 52.63 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 128.378 3.942 . . . . 0.0 120.392 -178.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm 71.52 -175.14 0.18 Allowed 'General case' 0 N--CA 1.48 1.075 0 O-C-N 117.231 -3.418 . . . . 0.0 114.635 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . 0.332 1.2 m-20 40.91 17.27 0.0 OUTLIER 'General case' 0 C--O 1.266 1.93 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 -176.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -97.79 -10.07 25.45 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.197 0.999 . . . . 0.0 113.278 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 51.0 p . . . . . 0 C--O 1.259 1.58 0 O-C-N 124.741 1.275 . . . . 0.0 113.668 -177.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.432 -8.649 3 O4'-C4'-C3' 99.889 -5.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.368 -7.129 2 O4'-C1'-N19 115.943 10.178 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.542 -5.078 1 O4'-C4'-C3' 112.181 6.581 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 6 P--O3' 1.51 -8.043 4 C4'-C3'-C2' 96.371 -6.829 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.035 3 P-O3'-C3' 127.96 6.884 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 5 C2'--C1' 1.606 6.062 1 O4'-C1'-N19 112.784 6.23 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C4'--C3' 1.591 6.26 1 O4'-C1'-N19 104.383 -4.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.797 5 O4'-C1'-N19 116.311 10.639 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 O4'--C4' 1.391 -4.96 3 O4'-C4'-C3' 111.938 6.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.661 4.513 1 P-O3'-C3' 126.004 5.253 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C2'--C1' 1.442 -5.644 2 O4'-C1'-N19 113.49 7.112 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.646 16.905 3 O4'-C1'-N19 101.971 -7.286 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.538 -5.467 3 O4'-C1'-N19 122.179 17.973 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.995 1 O4'-C1'-N19 115.011 9.014 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.669 7.632 1 O4'-C1'-N19 112.768 6.21 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.495 4.496 1 O4'-C4'-C3' 110.336 4.736 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.429 ' C8 ' ' HD3' ' P' ' 51' ' ' LYS . . . . . . . . 3 P--O5' 1.655 6.248 2 O4'-C1'-N19 112.969 6.462 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.469 -5.204 2 O5'-C5'-C4' 118.708 6.077 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.73 1 O4'-C1'-C2' 99.988 -5.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.372 -4.249 3 P-O3'-C3' 126.56 5.717 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.552 5.143 2 O4'-C1'-N19 115.438 9.547 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.526 -6.751 2 O4'-C1'-N19 111.773 4.966 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.615 9.738 2 O4'-C4'-C3' 112.842 7.242 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.16 3 O5'-C5'-C4' 117.88 5.485 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . 0.466 ' C5 ' ' C4 ' ' B' ' 94' ' ' ' DC' . . . . . . . . 4 C5'--C4' 1.564 6.648 3 O4'-C4'-C3' 112.631 7.031 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . 0.466 ' C4 ' ' C5 ' ' B' ' 93' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.36 -5.449 3 O5'-C5'-C4' 124.209 10.006 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.554 0 CA-C-O 115.893 -2.615 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . 0.261 35.7 Cg_exo -47.1 -46.97 17.92 Favored 'Trans proline' 0 C--O 1.169 -2.949 2 C-N-CA 126.737 4.958 . . . . 0.0 117.991 172.632 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -157.05 108.6 2.38 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 130.37 3.468 . . . . 0.0 112.501 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.21 156.99 44.88 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.071 -1.643 . . . . 0.0 110.671 178.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 52.6 p -84.29 142.91 29.88 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 129.31 3.044 . . . . 0.0 118.016 -169.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -139.82 71.18 1.37 Allowed 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.923 1.689 . . . . 0.0 107.784 168.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 29.8 m -39.83 108.28 0.08 Allowed 'General case' 0 N--CA 1.494 1.772 1 C-N-CA 133.023 4.529 . . . . 0.0 105.671 -178.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 98.5 m -106.51 103.65 13.15 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 109.659 -3.428 . . . . 0.0 106.218 168.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -51.78 150.43 4.04 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-N 113.261 -1.79 . . . . 0.0 112.681 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 70.6 p -83.43 169.42 15.56 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 124.378 1.071 . . . . 0.0 108.981 165.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . 0.256 58.6 m -62.25 -33.58 74.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 123.646 1.689 . . . . 0.0 108.11 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -66.83 -33.19 75.07 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 119.702 -1.874 . . . . 0.0 114.303 -177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.68 -39.41 36.81 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 127.896 2.478 . . . . 0.0 109.478 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.89 -33.56 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 120.88 -1.138 . . . . 0.0 110.093 169.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.7 76.61 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 125.067 1.347 . . . . 0.0 112.33 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.601 ' HB2' HD11 ' P' ' 39' ' ' LEU . 2.5 mm-40 -64.78 -53.01 53.7 Favored 'General case' 0 CA--C 1.462 -2.43 0 C-N-CA 126.539 1.936 . . . . 0.0 112.941 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 43.8 mt -55.88 -42.12 75.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.047 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.01 -52.32 36.95 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 114.938 -2.458 . . . . 0.0 110.527 170.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -44.58 -46.58 10.07 Favored 'General case' 0 C--O 1.265 1.889 0 CA-C-N 124.583 3.356 . . . . 0.0 116.863 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . 0.439 ' CD2' HD11 ' P' ' 35' ' ' LEU . 93.9 m-70 -73.86 -38.69 64.37 Favored 'General case' 0 N--CA 1.385 -3.718 0 O-C-N 119.588 -1.945 . . . . 0.0 115.039 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -49.98 -34.2 20.26 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 118.056 -2.903 . . . . 0.0 112.099 166.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . 0.311 9.4 mt -54.07 -31.48 51.84 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 126.234 2.921 . . . . 0.0 117.459 172.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.82 -19.75 57.17 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 112.245 -2.252 . . . . 0.0 112.168 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.53 133.04 2.2 Favored Glycine 0 CA--C 1.562 3.012 0 O-C-N 118.847 -2.408 . . . . 0.0 111.593 167.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -64.8 -26.83 68.52 Favored 'General case' 0 C--N 1.383 2.031 0 O-C-N 124.481 0.753 . . . . 0.0 112.596 -165.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -119.42 143.66 47.35 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 127.664 2.386 . . . . 0.0 113.97 -171.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.592 ' CD1' ' HA ' ' P' ' 47' ' ' LYS . 0.3 OUTLIER -74.27 161.01 30.34 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.898 2.285 . . . . 0.0 108.671 -171.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.475 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 3.7 p -146.27 166.72 25.44 Favored 'General case' 0 N--CA 1.5 2.074 1 O-C-N 115.588 -4.445 . . . . 0.0 108.015 161.589 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.28 12.5 Favored Pre-proline 0 C--O 1.287 3.035 0 O-C-N 117.581 -3.199 . . . . 0.0 114.88 -174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -63.79 -42.46 19.93 Favored 'Trans proline' 0 CA--C 1.598 3.698 0 CA-C-O 114.867 -2.222 . . . . 0.0 110.666 169.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' H ' ' P' ' 28' ' ' THR . 0.5 OUTLIER -65.21 -49.98 67.62 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 123.36 2.8 . . . . 0.0 106.447 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.48 -39.87 58.38 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 121.429 1.922 . . . . 0.0 110.549 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.71 -46.75 35.58 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 171.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 124.955 1.302 . . . . 0.0 107.952 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' P' ' 20' ' ' HIS . 0.0 OUTLIER -67.31 -31.95 72.6 Favored 'General case' 0 CA--C 1.59 2.488 0 O-C-N 119.174 -2.204 . . . . 0.0 113.77 167.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . 0.335 20.6 p -54.32 -46.64 72.9 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 116.86 -3.65 . . . . 0.0 118.722 173.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.9 87.57 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 111.633 -2.53 . . . . 0.0 115.404 171.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -66.92 -55.37 14.9 Favored 'General case' 0 CA--C 1.599 2.849 0 C-N-CA 124.489 1.116 . . . . 0.0 113.988 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' P' ' 16' ' ' GLU . 4.5 mm? -78.96 -10.68 59.89 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-O 115.056 -2.402 . . . . 0.0 110.212 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.57 34.53 7.76 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 126.165 2.166 . . . . 0.0 109.383 165.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.29 164.8 28.33 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 126.463 2.352 . . . . 0.0 106.881 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.53 148.65 41.14 Favored Glycine 1 N--CA 1.539 5.532 0 CA-C-O 125.269 2.594 . . . . 0.0 113.814 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 2.2 p -56.38 -46.27 80.16 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 127.633 2.373 . . . . 0.0 108.973 -173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.26 -36.69 71.29 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.7 -25.04 67.96 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 125.045 1.466 . . . . 0.0 111.897 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 17.1 t -74.36 -43.45 49.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 119.158 0.89 . . . . 0.0 112.424 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.592 ' HA ' ' CD1' ' P' ' 27' ' ' LEU . 24.0 mttt -58.58 -52.53 65.25 Favored 'General case' 0 CA--C 1.481 -1.687 1 O-C-N 115.743 -4.348 . . . . 0.0 110.66 168.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . 0.431 HD12 ' C7 ' ' A' ' 76' ' ' ' DT' . 23.6 mm -60.95 -31.51 49.98 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -177.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . 0.282 39.3 t90 -73.42 -46.25 49.75 Favored 'General case' 1 N--CA 1.557 4.888 0 CA-C-O 116.522 -1.704 . . . . 0.0 114.543 171.268 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.28 -45.6 76.19 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 122.228 2.285 . . . . 0.0 111.872 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -52.71 56.87 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-N 112.485 -2.143 . . . . 0.0 114.337 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . 0.345 3.2 p30 -57.7 -36.27 71.74 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 124.83 1.331 . . . . 0.0 113.182 175.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -55.97 -48.06 76.51 Favored 'General case' 1 C--O 1.314 4.475 0 C-N-CA 126.998 2.119 . . . . 0.0 108.212 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -55.77 -48.76 74.74 Favored 'General case' 0 N--CA 1.518 2.945 0 CA-C-O 125.377 2.513 . . . . 0.0 109.974 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 51.5 mmm-85 -70.86 -50.22 37.55 Favored 'General case' 0 C--N 1.396 2.597 0 O-C-N 117.944 -2.973 . . . . 0.0 112.255 -173.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . 0.4 HH21 ' P ' ' A' ' 74' ' ' ' DA' . 26.1 ttm105 -49.56 -48.43 48.52 Favored 'General case' 0 C--O 1.203 -1.344 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 171.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -58.95 -48.45 81.47 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 118.014 -1.475 . . . . 0.0 112.504 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' P' ' 58' ' ' LYS . 9.3 ptpt -69.06 -40.08 78.74 Favored 'General case' 0 C--N 1.398 2.693 0 O-C-N 117.406 -3.308 . . . . 0.0 110.888 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 14.0 mt -59.93 -45.27 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 124.721 1.208 . . . . 0.0 108.402 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.64 -32.85 74.65 Favored 'General case' 0 CA--C 1.483 -1.606 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 170.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -62.48 -15.57 50.71 Favored 'General case' 0 CA--C 1.582 2.177 0 CA-C-N 120.863 1.665 . . . . 0.0 109.328 170.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -93.13 -7.12 46.34 Favored 'General case' 0 CA--C 1.568 1.643 0 O-C-N 117.68 -3.138 . . . . 0.0 113.704 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -146.81 -47.66 0.18 Allowed 'General case' 0 C--N 1.369 1.424 0 N-CA-C 119.277 3.066 . . . . 0.0 119.277 -172.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.258 24.6 t-80 -177.07 147.99 0.6 Allowed 'General case' 0 N--CA 1.522 3.148 0 C-N-CA 130.864 3.666 . . . . 0.0 107.127 168.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -110.47 128.78 55.77 Favored 'General case' 0 C--O 1.285 2.965 0 C-N-CA 118.481 -1.288 . . . . 0.0 114.434 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -62.72 -12.89 26.74 Favored 'General case' 0 C--O 1.2 -1.52 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -92.47 -53.53 4.17 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 126.039 2.087 . . . . 0.0 108.206 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.51 2.572 0 C-N-CA 130.562 3.545 . . . . 0.0 112.324 179.45 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.594 10.368 2 O5'-C5'-C4' 117.382 5.13 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.606 7.763 3 P-O3'-C3' 128.348 7.206 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.229 2 P-O3'-C3' 127.347 6.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.576 8.108 1 C1'-O4'-C4' 101.815 -5.632 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 P--O5' 1.503 -9.049 4 O4'-C1'-N19 111.93 5.163 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . 0.4 ' P ' HH21 ' P' ' 56' ' ' ARG . . . . . . . . 2 P--O5' 1.668 7.548 2 O5'-C5'-C4' 118.111 5.651 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.459 4 O4'-C1'-N19 101.888 -7.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . 0.431 ' C7 ' HD12 ' P' ' 48' ' ' ILE . . . . . . . . 2 C3'--C2' 1.576 5.847 5 O4'-C4'-C3' 115.184 9.584 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.452 -6.619 3 P-O3'-C3' 127.58 6.566 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.671 5.345 4 O4'-C1'-N19 97.105 -13.369 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.566 6.866 3 O4'-C1'-N19 112.737 6.171 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.566 6.826 2 P-O3'-C3' 129.25 7.958 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 O4'--C1' 1.482 4.759 2 O4'-C1'-N19 118.657 13.571 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C3'--C2' 1.451 -6.684 2 C4'-C3'-C2' 97.876 -5.324 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.602 11.325 1 C4'-C3'-C2' 98.299 -4.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.451 -7.74 3 O4'-C1'-N19 111.445 4.556 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . 0.419 " H4'" ' OP1' ' B' ' 86' ' ' ' DG' . . . . . . . . 3 P--O5' 1.548 -4.545 2 O4'-C1'-N19 113.96 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . 0.437 H2'' ' C8 ' ' B' ' 87' ' ' ' DA' . . . . . . . . 5 O4'--C4' 1.394 -4.749 2 O4'-C1'-N19 102.496 -6.63 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' B' ' 86' ' ' ' DG' . . . . . . . . 1 C3'--C2' 1.573 5.455 2 C4'-C3'-C2' 97.224 -5.976 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.458 -6.032 1 O4'-C1'-N19 113.097 6.621 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.681 6.148 1 O5'-C5'-C4' 116.761 4.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.369 -4.806 4 O4'-C1'-N19 121.241 16.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.473 -4.695 1 P-O3'-C3' 126.431 5.61 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.678 5.891 2 P-O3'-C3' 127.134 6.195 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.67 5.288 7 O4'-C1'-N19 116.105 10.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.508 -8.541 3 O4'-C1'-N19 112.973 6.466 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.842 0 CA-C-O 116.859 -2.078 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -41.28 -34.51 1.78 Allowed 'Trans proline' 0 C--N 1.298 -2.082 1 C-N-CA 133.031 9.154 . . . . 0.0 109.12 -175.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 47.83 2.21 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 117.761 -3.087 . . . . 0.0 111.638 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.463 ' HG2' " H5'" ' B' ' 91' ' ' ' DG' . 41.2 tpt85 -69.72 -16.96 63.42 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 120.311 -1.493 . . . . 0.0 112.358 168.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . . 13.2 t -155.9 168.91 25.73 Favored 'General case' 0 C--O 1.275 2.442 0 CA-C-O 116.87 -1.538 . . . . 0.0 109.075 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -137.34 -47.32 0.57 Allowed 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 130.54 3.536 . . . . 0.0 116.743 -166.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 72.8 m -124.89 141.57 52.03 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 123.81 1.767 . . . . 0.0 114.007 -169.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 52.6 m -116.66 101.59 8.71 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 155.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -54.81 143.63 25.03 Favored 'General case' 0 N--CA 1.519 3.011 1 O-C-N 115.838 -4.289 . . . . 0.0 108.359 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . 0.266 71.5 p -102.25 166.91 10.32 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 130.246 3.418 . . . . 0.0 111.357 174.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -66.35 -41.06 90.07 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 117.517 -1.23 . . . . 0.0 108.886 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -70.69 -27.85 64.31 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-O 115.341 -2.266 . . . . 0.0 115.14 171.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.83 -47.89 76.35 Favored 'General case' 0 C--O 1.171 -3.069 0 C-N-CA 116.526 -2.07 . . . . 0.0 115.993 163.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.38 -28.91 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.466 0 O-C-N 117.577 -3.202 . . . . 0.0 110.705 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -54.72 21.67 Favored 'General case' 0 CA--C 1.601 2.912 0 CA-C-N 123.56 2.891 . . . . 0.0 108.38 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . 0.642 ' HB2' HD11 ' P' ' 39' ' ' LEU . 3.9 mm-40 -52.65 -54.27 35.73 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 128.364 2.665 . . . . 0.0 113.141 174.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 mt -54.57 -35.23 63.07 Favored 'General case' 0 C--N 1.395 2.586 0 CA-C-O 114.711 -2.566 . . . . 0.0 113.225 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.34 -46.03 64.97 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 123.231 1.491 . . . . 0.0 112.421 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.044 -1.889 . . . . 0.0 108.877 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -75.36 -34.16 61.12 Favored 'General case' 0 C--O 1.277 2.507 0 C-N-CA 115.259 -2.577 . . . . 0.0 110.967 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -49.99 -37.64 33.53 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 117.24 -1.362 . . . . 0.0 112.789 163.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 47.6 mt -60.06 -25.31 65.27 Favored 'General case' 0 N--CA 1.522 3.161 0 CA-C-N 120.305 1.412 . . . . 0.0 113.29 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -80.89 -30.89 35.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 170.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.08 104.44 0.26 Allowed Glycine 1 CA--C 1.625 6.925 0 CA-C-N 114.12 -1.4 . . . . 0.0 109.834 -174.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -65.21 -24.73 67.43 Favored 'General case' 0 C--O 1.271 2.213 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -172.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -132.53 154.17 50.23 Favored 'General case' 0 C--O 1.205 -1.247 0 O-C-N 117.514 -3.242 . . . . 0.0 114.76 171.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' P' ' 47' ' ' LYS . 30.3 mt -74.0 144.12 45.3 Favored 'General case' 0 CA--C 1.589 2.444 0 O-C-N 127.101 2.751 . . . . 0.0 108.6 -171.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . 0.514 ' H ' ' HB2' ' P' ' 31' ' ' ARG . 37.5 p -120.46 165.86 14.37 Favored 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 109.43 -3.532 . . . . 0.0 104.069 161.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.22 99.51 Favored Pre-proline 0 N--CA 1.435 -1.176 0 O-C-N 120.006 -1.684 . . . . 0.0 110.686 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -65.96 -41.66 13.14 Favored 'Trans proline' 0 N--CA 1.513 2.664 0 CA-C-N 122.784 2.03 . . . . 0.0 112.534 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . 0.514 ' HB2' ' H ' ' P' ' 28' ' ' THR . 11.5 mmt180 -54.57 -55.56 28.04 Favored 'General case' 1 N--CA 1.56 5.033 0 CA-C-O 125.514 2.578 . . . . 0.0 113.795 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -48.59 74.64 Favored 'General case' 0 CA--C 1.607 3.161 0 C-N-CA 131.557 3.943 . . . . 0.0 110.6 172.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.11 86.37 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 122.05 2.205 . . . . 0.0 114.377 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -75.96 -34.75 59.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.6 1.812 . . . . 0.0 114.445 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' P' ' 39' ' ' LEU . 0.2 OUTLIER -70.13 -44.73 68.3 Favored 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.694 -1.879 . . . . 0.0 109.969 173.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 15.1 t -44.4 -55.08 5.29 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.33 1.852 . . . . 0.0 110.028 167.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.85 94.96 Favored 'General case' 0 N--CA 1.525 3.324 0 CA-C-O 116.253 -1.832 . . . . 0.0 114.58 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.43 -67.77 0.46 Allowed 'General case' 0 N--CA 1.533 3.716 0 CA-C-N 122.597 2.453 . . . . 0.0 107.002 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' P' ' 16' ' ' GLU . 3.8 mm? -53.34 -25.77 16.43 Favored 'General case' 0 N--CA 1.482 1.147 1 C-N-CA 132.201 4.201 . . . . 0.0 109.421 -175.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . . . . 64.46 39.66 6.77 Favored 'General case' 0 C--N 1.369 1.452 0 CA-C-O 124.423 2.059 . . . . 0.0 115.823 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.33 175.76 9.4 Favored 'General case' 0 C--O 1.156 -3.846 0 C-N-CA 127.334 2.254 . . . . 0.0 111.927 167.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.67 150.87 44.65 Favored Glycine 0 C--O 1.283 3.178 0 O-C-N 119.275 -2.14 . . . . 0.0 117.451 -168.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -47.33 -42.85 22.1 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.081 -2.423 . . . . 0.0 110.759 167.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.11 78.58 Favored 'General case' 0 CA--C 1.462 -2.429 0 O-C-N 118.05 -2.906 . . . . 0.0 108.597 -174.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -66.55 -25.54 66.7 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 119.556 -1.965 . . . . 0.0 112.754 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.81 -45.06 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 122.203 2.274 . . . . 0.0 110.962 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.464 ' HA ' HD12 ' P' ' 27' ' ' LEU . 47.6 mtmt -59.31 -47.4 85.55 Favored 'General case' 0 C--O 1.268 2.029 0 C-N-CA 128.64 2.776 . . . . 0.0 115.934 165.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . 0.545 HD13 " H2'" ' A' ' 75' ' ' ' DA' 0.286 88.9 mt -60.28 -35.24 60.96 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 C-N-CA 116.776 -1.97 . . . . 0.0 108.035 177.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -65.81 -51.25 60.55 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 119.329 -2.107 . . . . 0.0 107.904 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -47.46 -50.75 22.24 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 126.058 2.099 . . . . 0.0 109.631 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -55.48 -55.82 27.41 Favored 'General case' 0 C--O 1.171 -3.058 0 N-CA-C 118.486 2.773 . . . . 0.0 118.486 172.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -53.67 -37.44 63.18 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 126.159 2.162 . . . . 0.0 114.119 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -63.33 -55.9 20.86 Favored 'General case' 0 N--CA 1.533 3.704 0 C-N-CA 131.07 3.748 . . . . 0.0 112.486 170.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 mmt-85 -63.91 -47.62 79.84 Favored 'General case' 0 C--O 1.209 -1.029 0 O-C-N 124.97 1.419 . . . . 0.0 114.13 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . 0.447 ' O ' HD12 ' P' ' 59' ' ' ILE . 33.5 mmm-85 -59.74 -51.38 70.01 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 128.152 2.581 . . . . 0.0 108.038 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -57.74 -49.12 77.64 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.199 -1.563 . . . . 0.0 113.316 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -57.53 -50.58 72.61 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 129.483 3.113 . . . . 0.0 108.876 -171.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . 0.346 7.1 ptpt -70.97 -34.2 71.18 Favored 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 118.34 2.719 . . . . 0.0 118.34 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . 0.447 HD12 ' O ' ' P' ' 55' ' ' ARG . 25.6 mt -60.15 -57.2 12.88 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.014 0 O-C-N 125.469 1.73 . . . . 0.0 114.096 165.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.22 -32.67 66.74 Favored 'General case' 0 C--N 1.375 1.677 0 O-C-N 120.106 -1.621 . . . . 0.0 113.317 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 16.1 m -67.71 -5.04 14.1 Favored 'General case' 0 CA--C 1.556 1.179 0 O-C-N 117.43 -3.294 . . . . 0.0 116.394 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -117.24 -10.93 10.7 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.507 1.123 . . . . 0.0 113.537 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -87.77 113.5 23.49 Favored 'General case' 0 C--O 1.203 -1.344 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.298 -172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . 0.301 11.2 p80 42.43 51.04 4.76 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 126.707 2.504 . . . . 0.0 110.283 -171.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . 0.333 21.1 tttp -48.71 -55.36 11.6 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 125.083 2.373 . . . . 0.0 113.954 -167.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 51.43 19.07 0.74 Allowed 'General case' 0 C--O 1.209 -1.064 0 C-N-CA 130.771 3.628 . . . . 0.0 118.685 -177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -143.38 133.98 25.01 Favored 'General case' 0 C--O 1.255 1.368 0 O-C-N 116.93 -3.606 . . . . 0.0 106.959 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.253 1.282 0 O-C-N 118.173 -2.829 . . . . 0.0 111.572 171.248 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.361 2 O4'-C1'-N19 112.07 5.338 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.56 -3.299 1 P-O3'-C3' 124.508 4.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.2 5 O4'-C1'-N19 114.031 7.788 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.562 6.429 5 O4'-C1'-N19 102.403 -6.747 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.648 5.471 2 O4'-C1'-N19 102.686 -6.393 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.485 -4.31 1 O5'-C5'-C4' 116.173 4.266 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . 0.545 " H2'" HD13 ' P' ' 48' ' ' ILE . . . . . . . . 1 C5'--C4' 1.556 5.568 3 O5'-C5'-C4' 123.079 9.199 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.567 6.948 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 O4'--C4' 1.362 -7.591 3 O4'-C1'-N19 115.116 9.144 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.57 7.38 4 O5'-C5'-C4' 118.944 6.246 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.593 6.498 1 C4'-C3'-O3' 100.269 -4.56 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C4'--C3' 1.478 -4.973 3 O4'-C4'-C3' 112.058 6.458 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.568 4.97 5 O4'-C1'-N19 116.658 11.072 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.261 2 O4'-C1'-N19 113.703 7.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.56 6.083 3 O5'-C5'-C4' 120.711 7.508 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.576 8.16 1 O4'-C1'-N19 112.59 5.988 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.516 -7.698 2 O5'-C5'-C4' 120.138 7.099 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.585 9.197 2 O4'-C1'-N19 114.651 8.564 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 P--O3' 1.516 -7.587 2 P-O3'-C3' 126.758 5.882 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C5'--C4' 1.559 5.951 4 C4'-C3'-C2' 93.86 -9.34 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.583 5.497 3 P-O3'-C3' 128.04 6.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.551 5.001 2 C4'-C3'-C2' 96.201 -6.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.463 " H5'" ' HG2' ' P' ' 4' ' ' ARG . . . . . . . . 2 C5'--C4' 1.582 8.835 4 O4'-C1'-C2' 112.796 6.087 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.364 2 P-O3'-C3' 126.407 5.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.534 -5.881 3 O4'-C1'-N19 112.664 6.081 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.564 4.585 0 O4'-C1'-N19 105.095 -3.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 CA-C-O 120.239 -0.201 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -69.86 -10.07 27.6 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 C-N-CA 124.3 3.333 . . . . 0.0 115.732 171.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.475 ' HD2' H5'' ' B' ' 90' ' ' ' DA' . 0.0 OUTLIER -124.05 30.98 5.94 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 118.642 -2.536 . . . . 0.0 105.623 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' ARG . . . . . 0.401 ' CG ' " H5'" ' B' ' 91' ' ' ' DG' . 0.0 OUTLIER -144.98 168.14 20.98 Favored 'General case' 0 N--CA 1.518 2.953 0 C-N-CA 130.528 3.531 . . . . 0.0 111.912 -177.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' THR . . . . . . . . . . . . 0.429 14.8 t -71.62 161.1 31.53 Favored 'General case' 0 C--N 1.356 0.848 0 O-C-N 118.528 -2.608 . . . . 0.0 114.558 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 -96.68 7.45 46.54 Favored 'General case' 0 N--CA 1.529 3.504 0 CA-C-N 121.275 1.852 . . . . 0.0 112.612 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -89.43 146.14 24.85 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 129.623 3.169 . . . . 0.0 114.761 169.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' THR . . . . . . . . . . . . . 51.3 m -152.87 104.14 2.82 Favored 'General case' 0 N--CA 1.4 -2.94 1 N-CA-C 98.285 -4.709 . . . . 0.0 98.285 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -57.79 145.8 33.65 Favored 'General case' 0 C--O 1.28 2.699 0 O-C-N 126.946 2.654 . . . . 0.0 114.952 -169.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 64.9 p -102.28 167.29 10.08 Favored 'General case' 0 N--CA 1.507 2.408 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.969 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -53.79 -37.82 63.87 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 118.609 -2.557 . . . . 0.0 117.727 173.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -66.91 -35.5 80.15 Favored 'General case' 0 N--CA 1.424 -1.743 0 C-N-CA 127.505 2.322 . . . . 0.0 116.375 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 13' ' ' GLN . . . . . 0.544 HE22 HD21 ' P' ' 41' ' ' LEU . 72.6 mt-30 -73.28 -51.56 17.12 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 119.511 -1.993 . . . . 0.0 110.393 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 14' ' ' ILE . . . . . . . . . . . . . 69.6 mt -47.68 -38.24 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.508 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.03 -41.65 77.43 Favored 'General case' 0 CA--C 1.581 2.14 0 O-C-N 120.461 -1.4 . . . . 0.0 113.279 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.66 -46.55 65.86 Favored 'General case' 0 CA--C 1.47 -2.133 0 CA-C-O 114.815 -2.517 . . . . 0.0 108.249 172.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.495 ' CD2' HD11 ' P' ' 39' ' ' LEU . 11.3 mt -55.32 -48.64 73.85 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 120.569 1.531 . . . . 0.0 109.204 -175.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.31 -52.9 62.76 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 121.926 2.148 . . . . 0.0 114.361 172.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 19' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -55.34 -43.01 74.58 Favored 'General case' 0 C--O 1.261 1.698 0 CA-C-O 114.729 -2.557 . . . . 0.0 111.812 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 20' ' ' HIS . . . . . . . . . . . . 0.275 89.6 m-70 -81.67 -26.75 34.45 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 124.75 3.432 . . . . 0.0 111.1 177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.67 -42.93 46.67 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-O 116.914 -1.517 . . . . 0.0 114.813 162.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 37.6 mt -46.0 -36.72 5.85 Favored 'General case' 0 N--CA 1.513 2.699 0 O-C-N 123.915 0.759 . . . . 0.0 111.344 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 23' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -81.64 -20.04 40.48 Favored 'General case' 0 CA--C 1.564 1.506 0 N-CA-C 120.26 3.43 . . . . 0.0 120.26 176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.34 97.08 0.12 Allowed Glycine 0 N--CA 1.428 -1.886 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 -173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 25' ' ' ARG . . . . . . . . . . . . . 49.3 mtt-85 -70.97 -13.32 61.97 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.473 2.397 . . . . 0.0 117.473 -161.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -145.88 161.44 40.01 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 129.781 3.232 . . . . 0.0 107.938 165.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 27' ' ' LEU . . . . . 0.638 HD11 HG12 ' P' ' 46' ' ' VAL . 77.2 mt -86.79 171.23 11.04 Favored 'General case' 0 N--CA 1.509 2.477 0 CA-C-O 126.208 2.909 . . . . 0.0 115.595 -165.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -150.62 163.08 39.38 Favored 'General case' 0 C--N 1.379 1.857 0 CA-C-N 109.459 -3.519 . . . . 0.0 106.325 170.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.43 -42.8 84.34 Favored Pre-proline 0 N--CA 1.527 3.397 0 CA-C-N 124.291 3.223 . . . . 0.0 111.869 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 30' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.86 -43.11 57.53 Favored 'Trans proline' 0 C--N 1.277 -3.221 0 C-N-CA 123.756 2.971 . . . . 0.0 118.357 168.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -47.26 51.83 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 116.584 -1.675 . . . . 0.0 115.134 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 32' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' P' ' 43' ' ' THR 0.27 0.6 OUTLIER -61.97 -48.23 81.28 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 128.786 3.804 . . . . 0.0 110.673 175.492 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' P' P ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.55 67.47 Favored 'General case' 0 C--O 1.197 -1.699 0 O-C-N 120.244 -1.535 . . . . 0.0 113.722 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.99 -57.19 14.15 Favored 'General case' 0 C--O 1.284 2.884 0 O-C-N 125.828 1.955 . . . . 0.0 108.875 -174.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 35' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -27.75 69.44 Favored 'General case' 0 C--N 1.367 1.334 1 O-C-N 113.857 -5.527 . . . . 0.0 118.533 173.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 36' ' ' SER . . . . . . . . . . . . . 89.1 p -62.59 -39.79 94.85 Favored 'General case' 0 C--N 1.372 1.549 0 CA-C-O 124.844 2.259 . . . . 0.0 107.964 173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.76 72.38 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 119.534 -1.979 . . . . 0.0 108.875 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -68.88 -54.82 13.47 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 117.128 -1.415 . . . . 0.0 113.267 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' P' ' 17' ' ' LEU . 35.8 mt -61.76 -24.63 66.95 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 129.801 3.24 . . . . 0.0 116.25 172.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 40' ' ' ALA . . . . . . . . . . . . 0.278 . . 77.9 41.34 0.13 Allowed 'General case' 0 C--N 1.286 -2.16 0 O-C-N 127.638 3.086 . . . . 0.0 109.876 173.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . 0.544 HD21 HE22 ' P' ' 13' ' ' GLN . 13.6 mt -126.53 174.95 8.27 Favored 'General case' 0 N--CA 1.419 -1.984 0 C-N-CA 128.49 2.716 . . . . 0.0 112.908 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.2 157.68 41.15 Favored Glycine 0 CA--C 1.574 3.721 0 CA-C-O 125.677 2.82 . . . . 0.0 108.691 168.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 43' ' ' THR . . . . . 0.494 ' HB ' HD21 ' P' ' 32' ' ' LEU . 0.2 OUTLIER -66.26 -35.14 79.63 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 117.2 -3.529 . . . . 0.0 108.304 -173.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.02 97.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.72 -24.92 67.1 Favored 'General case' 0 C--O 1.197 -1.709 0 N-CA-C 117.792 2.516 . . . . 0.0 117.792 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 46' ' ' VAL . . . . . 0.638 HG12 HD11 ' P' ' 27' ' ' LEU . 3.9 t -69.1 -52.53 32.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-O 115.618 -2.134 . . . . 0.0 109.055 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' P' ' 27' ' ' LEU . 0.0 OUTLIER -50.59 -56.79 10.15 Favored 'General case' 0 C--N 1.272 -2.778 0 C-N-CA 127.137 2.175 . . . . 0.0 111.722 171.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.41 -31.63 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-O 114.743 -2.551 . . . . 0.0 110.747 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 49' ' ' TRP . . . . . 0.463 ' CE3' ' HB3' ' P' ' 17' ' ' LEU . 74.2 t90 -63.48 -61.99 1.97 Allowed 'General case' 0 C--O 1.298 3.621 0 O-C-N 126.06 2.1 . . . . 0.0 107.528 172.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 50' ' ' PHE . . . . . 0.432 ' CE2' HD21 ' P' ' 27' ' ' LEU . 6.9 m-85 -52.65 -48.77 66.21 Favored 'General case' 0 C--N 1.366 1.314 0 CA-C-N 112.801 -2.0 . . . . 0.0 111.577 -171.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -66.27 -55.12 17.64 Favored 'General case' 0 CA--C 1.574 1.88 0 C-N-CA 129.886 3.274 . . . . 0.0 106.722 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -53.44 -37.25 62.4 Favored 'General case' 0 C--O 1.213 -0.857 0 O-C-N 125.988 2.055 . . . . 0.0 112.293 177.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -78.54 -33.45 47.83 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.208 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -60.48 -45.86 92.22 Favored 'General case' 0 N--CA 1.539 3.982 0 CA-C-N 120.799 1.636 . . . . 0.0 113.522 164.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -56.56 -57.62 11.56 Favored 'General case' 0 C--N 1.365 1.271 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 168.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -51.0 -43.26 60.78 Favored 'General case' 0 N--CA 1.528 3.433 0 O-C-N 119.836 -1.79 . . . . 0.0 109.703 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 57' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -70.84 -47.48 59.11 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 130.049 3.339 . . . . 0.0 110.193 -174.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -72.25 -37.11 69.18 Favored 'General case' 0 C--O 1.193 -1.89 0 O-C-N 117.324 -3.36 . . . . 0.0 109.292 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 59' ' ' ILE . . . . . . . . . . . . . 29.9 mt -54.23 -51.15 50.5 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 126.464 3.031 . . . . 0.0 110.763 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.08 -40.27 84.74 Favored 'General case' 0 CA--C 1.464 -2.341 0 C-N-CA 127.816 2.447 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -81.07 0.22 36.94 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -134.37 -41.91 0.79 Allowed 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 125.331 1.453 . . . . 0.0 111.266 -164.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.68 -39.48 91.59 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 118.756 -2.465 . . . . 0.0 112.635 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.85 157.03 46.38 Favored 'General case' 0 N--CA 1.437 -1.091 0 O-C-N 126.403 2.315 . . . . 0.0 116.037 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 65' ' ' LYS . . . . . . . . . . . . . 72.5 tttt 34.71 49.72 0.39 Allowed 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 126.683 1.993 . . . . 0.0 113.171 170.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.4 145.98 52.44 Favored 'General case' 0 CA--C 1.561 1.38 0 O-C-N 118.925 -2.36 . . . . 0.0 111.361 -175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -143.68 -8.77 0.73 Allowed 'General case' 0 C--O 1.264 1.826 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 68' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 CA--C 1.573 1.835 0 CA-C-O 112.784 -3.484 . . . . 0.0 114.901 -164.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.382 -5.801 1 O4'-C1'-N19 118.711 13.638 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.401 3 O4'-C4'-C3' 115.802 10.202 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.38 -3.764 5 O4'-C1'-N19 118.958 13.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.559 3.132 2 O4'-C4'-C3' 111.318 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.371 -4.597 3 P-O3'-C3' 125.74 5.034 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.554 5.376 3 O4'-C1'-N19 101.133 -8.334 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.151 2 O4'-C1'-N19 115.173 9.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.615 9.656 2 P-O3'-C3' 131.64 9.95 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.589 9.771 3 C5'-C4'-C3' 107.201 -4.999 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.561 3 O4'-C4'-C3' 111.208 5.608 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.598 8.046 3 P-O3'-C3' 128.59 7.408 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.657 6.409 4 O4'-C1'-C2' 113.657 6.87 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.535 -5.806 4 O4'-C1'-N19 119.227 14.284 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.354 -8.325 1 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C3'--C2' 1.565 4.747 4 O4'-C1'-N19 101.478 -7.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.652 5.876 3 C4'-C3'-C2' 96.401 -6.799 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 O5'--C5' 1.354 -5.354 4 O4'-C1'-N19 119.926 15.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.586 9.361 2 O4'-C4'-C3' 110.505 4.905 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.641 4.806 1 C5'-C4'-C3' 121.425 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.593 10.305 4 C5'-C4'-C3' 105.848 -5.901 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 5 C3'--C2' 1.474 -4.428 3 O4'-C1'-N19 115.177 9.221 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ' DA' . . . . . 0.475 H5'' ' HD2' ' P' ' 3' ' ' ARG . . . . . . . . 2 O4'--C4' 1.386 -5.498 3 P-O3'-C3' 127.507 6.506 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ' DG' . . . . . 0.401 " H5'" ' CG ' ' P' ' 4' ' ' ARG . . . . . . . . 2 C3'--C2' 1.594 7.573 4 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.499 -9.01 4 O4'-C1'-N19 115.559 9.699 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.557 5.79 2 O5'-C5'-C4' 120.507 7.362 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.932 6 C5'-C4'-C3' 104.028 -7.115 . . . . 0.0 . . . . . . . . . . 2 1 . 1 stop_ save_