data_4cz4_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 4cz4 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.42 108.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 74.41 110.703 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.44 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.13 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.515 HD11 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.3 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 73.41 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.498 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.51 112.373 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.42 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.4 mm-40 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 73.4 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.498 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.53 110.242 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 72.33 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 74.05 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.774 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 72.21 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.675 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 71.23 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 70.11 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 73.34 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.41 114.01 175.634 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 73.12 110.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 75.23 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.44 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.41 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.488 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.1 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.54 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.23 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.24 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.43 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 15.1 mm-40 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 73.21 108.716 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.52 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 54.04 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 74.11 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.775 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.24 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.11 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 75.02 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.638 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.31 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 65.31 115.404 173.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 64.34 107.682 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.617 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 74.11 110.429 175.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 75.14 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.11 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.34 111.693 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 74.05 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 73.12 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.24 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.32 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 74.31 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 75.12 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.782 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 75.51 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.14 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 55.34 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.53 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.33 114.331 173.637 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 73.25 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.633 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.4 111.89 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.44 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.43 110.732 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.33 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' HE21 ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 72.34 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.41 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 74.21 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.1 mm-40 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.43 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.572 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.1 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 74.24 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.32 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 75.14 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.736 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 72.2 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.33 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.11 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.13 114.115 176.464 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 71.45 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.627 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.24 111.623 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.52 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.45 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 74.24 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.12 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 73.22 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.55 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 72.41 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.55 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 17.5 mm-40 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.23 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 64.33 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.11 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 71.31 111.709 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.35 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 74.42 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 74.43 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.13 113.462 176.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 72.01 109.652 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.636 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.674 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 72.01 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.05 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.13 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.52 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HG ' HE21 ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 73.35 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.32 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.04 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.4 mm-40 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 61.2 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.445 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.33 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 63.0 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.24 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.729 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.15 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.12 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.03 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.41 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 72.11 114.448 176.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.041 0.448 . . . . 73.11 110.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.44 112.379 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.41 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD11 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.42 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 74.12 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HG ' HE21 ' A' ' 67' ' ' GLN . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 65.5 112.387 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.21 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.03 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.4 HE21 ' HG ' ' A' ' 63' ' ' LEU . 58.6 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 74.12 110.514 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.21 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.794 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 74.45 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.714 ' HZ1' ' HB2' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 75.22 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.42 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 72.52 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 72.44 114.226 175.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 120.831 0.348 . . . . 73.24 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.34 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.01 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 75.52 111.591 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 74.22 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' HE21 ' A' ' 67' ' ' GLN . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 71.22 112.346 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.51 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.43 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.516 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 72.15 109.906 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 73.44 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 75.01 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.724 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.23 112.135 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.51 109.113 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.33 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 53.52 113.04 179.491 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.11 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 74.15 111.517 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.05 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 73.12 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD11 ' HD3' ' A' ' 65' ' ' LYS . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.2 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.33 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HG ' HE21 ' A' ' 67' ' ' GLN . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 74.35 112.051 -175.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.51 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 73.23 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 74.11 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.457 HE21 ' HG ' ' A' ' 63' ' ' LEU . 73.7 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.11 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 73.52 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.32 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.683 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.41 111.305 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 74.3 110.227 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.33 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 72.34 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 55.23 113.959 177.516 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.965 -0.754 . . . . 72.55 108.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.32 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 74.54 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.21 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD11 ' HD2' ' A' ' 65' ' ' LYS . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 72.1 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.522 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.43 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.71 ' HG ' HE21 ' A' ' 67' ' ' GLN . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 74.43 112.323 -175.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.489 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 74.3 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.0 mm-40 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 63.14 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.71 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 71.33 109.267 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.11 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.23 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.753 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 74.2 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 72.25 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.02 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 70.03 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 74.42 115.664 172.337 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.11 108.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.668 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 65.43 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 71.54 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.54 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.42 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HG ' HE21 ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 71.42 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.35 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.41 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 16.1 mm-40 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.23 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.538 HE21 ' HG ' ' A' ' 63' ' ' LEU . 66.1 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 74.21 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 73.23 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.74 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.22 111.964 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.24 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.3 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 63.23 115.295 175.083 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.22 109.082 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.627 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.04 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 75.53 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 74.02 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.554 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.12 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 72.12 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 71.21 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 74.24 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.5 mm-40 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.31 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 65.43 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 63.2 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.627 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.02 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.12 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 74.44 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.31 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 74.11 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.32 113.621 178.109 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 75.31 109.224 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.34 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 73.45 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.05 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD11 ' HD2' ' A' ' 65' ' ' LYS . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 73.44 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.33 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.616 ' HG ' HE21 ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.24 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 74.01 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 74.41 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.5 mm-40 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 71.23 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.616 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.7 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 72.31 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.53 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.12 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.773 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.42 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.23 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 72.11 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 74.42 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 74.32 113.927 176.73 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 110.184 -0.302 . . . . 75.24 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.24 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.34 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.52 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.401 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.12 111.53 176.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.22 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' HE21 ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.34 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.44 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.0 mm-40 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.444 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.12 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 73.52 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 75.13 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.732 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 53.32 111.189 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 72.31 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.31 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.12 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.24 114.358 176.679 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.02 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 71.13 110.555 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 55.31 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.738 HD11 ' HD3' ' A' ' 65' ' ' LYS . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.13 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.11 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.24 112.157 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.12 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 74.4 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.22 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.42 110.477 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.21 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 73.21 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.665 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.22 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 74.33 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.34 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.01 110.342 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.34 114.181 177.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 109.47 -0.567 . . . . 72.31 109.47 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.14 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 70.21 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 71.15 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 HD11 ' HD3' ' A' ' 65' ' ' LYS . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 63.4 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.33 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.646 ' HG ' HE21 ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 71.35 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.15 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HD3' HD11 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 75.22 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 14.2 mm-40 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.11 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.646 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.9 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.21 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.4 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.32 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.724 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 74.11 111.281 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.31 109.733 170.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 74.12 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.11 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 75.53 109.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.616 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 72.35 111.496 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.51 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.41 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.23 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.12 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 74.52 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 73.22 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.7 mm-40 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.33 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 68.7 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 73.54 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 75.33 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 75.1 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.725 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.13 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 71.31 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.05 111.713 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 62.15 114.521 174.493 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 110.111 -0.329 . . . . 60.55 110.111 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 75.34 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 71.34 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.05 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 74.04 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.01 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.619 ' HG ' HE21 ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 72.44 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.24 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.32 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 73.15 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.619 HE21 ' HG ' ' A' ' 63' ' ' LEU . 70.7 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.51 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.54 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.719 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 64.31 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.52 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.54 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.33 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 72.02 113.556 177.308 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 62.42 108.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.59 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.04 111.101 176.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 75.13 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.11 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD11 ' HD2' ' A' ' 65' ' ' LYS . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 75.25 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 75.04 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.43 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.49 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 74.42 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HD2' HD11 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.12 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.6 mm-40 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.32 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.502 HE21 ' HG ' ' A' ' 63' ' ' LEU . 72.2 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 72.13 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 64.22 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.32 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.727 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 53.5 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 74.51 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.13 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.24 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 74.34 114.878 172.493 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 74.3 109.186 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.42 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 72.32 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 73.35 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 HD11 ' HD3' ' A' ' 65' ' ' LYS . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 74.52 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 64.52 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 65.23 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 73.52 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.5 mm-40 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.32 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.585 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.8 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.32 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.54 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.12 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.763 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.43 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 74.5 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.11 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 74.25 109.34 -174.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.43 113.928 176.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 74.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.443 ' HE3' ' HB2' ' A' ' 58' ' ' PHE . 27.1 ttt -119.48 116.16 25.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.267 0.555 . . . . 74.22 110.449 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -85.71 163.37 18.28 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.567 -0.742 . . . . 73.25 111.53 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.343 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -73.29 -36.43 66.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.514 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.46 93.16 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.42 108.968 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.642 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 74.41 110.703 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.44 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.13 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.515 HD11 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.3 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.438 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 73.41 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.51 112.373 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.42 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.4 mm-40 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 73.4 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.498 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.53 110.242 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 72.33 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 74.05 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.774 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 72.21 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.675 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 71.23 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 70.11 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 73.34 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.45 34.81 3.76 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.41 114.01 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -87.69 -32.68 19.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.281 0.562 . . . . 71.3 110.034 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.658 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 98.1 m-85 -116.88 86.59 2.53 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.513 -0.767 . . . . 74.51 109.474 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.745 0 CA-C-N 116.298 -0.41 . . . . 51.32 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 . . . . . . . . 63.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.574 ' SD ' HD12 ' A' ' 61' ' ' LEU . 43.8 ttm -72.94 119.61 17.42 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 70.35 110.429 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -78.59 179.36 7.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.422 -0.808 . . . . 74.52 110.201 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -73.67 -34.38 64.88 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.476 -1.305 . . . . 74.14 107.476 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -67.03 -42.44 84.87 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.602 -1.181 . . . . 75.11 110.578 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HB1' ' HG3' ' A' ' 53' ' ' MET . . . -63.8 -35.86 82.01 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 73.12 110.312 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 75.23 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.44 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.41 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD12 ' SD ' ' A' ' 53' ' ' MET . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.1 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.54 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.23 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.24 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.43 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 15.1 mm-40 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 73.21 108.716 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.52 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 54.04 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 74.11 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.775 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.24 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.11 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.741 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 75.02 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.638 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.31 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.65 24.84 71.44 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 65.31 115.404 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -90.17 -35.23 15.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 118.081 0.941 . . . . 75.44 108.906 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.47 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 88.4 m-85 -115.27 94.7 4.84 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.755 -1.111 . . . . 74.14 108.75 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 CA-C-N 116.12 -0.491 . . . . 63.21 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.419 . . . . . . . . 71.44 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.2 ttm -151.97 113.6 4.37 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.278 0.561 . . . . 72.34 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 p -95.03 -178.74 4.58 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.775 -0.824 . . . . 75.13 108.775 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.63 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 2.9 mpt_? -75.68 -12.28 60.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.037 0.446 . . . . 74.22 111.778 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 p -81.84 -42.92 18.95 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.035 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.18 82.67 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 64.34 107.682 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.617 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 74.11 110.429 175.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 75.14 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.11 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.34 111.693 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 74.05 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 73.12 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.24 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.32 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 74.31 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 75.12 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.782 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 75.51 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.14 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 55.34 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.53 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.5 32.15 3.5 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.33 114.331 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.1 mp -96.89 -59.9 1.7 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.322 0.582 . . . . 71.12 110.651 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 15.0 p90 -151.68 95.01 2.06 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.371 -0.831 . . . . 75.51 110.361 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.733 0 CA-C-N 115.666 -0.697 . . . . 63.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.626 . . . . . . . . 60.43 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.477 ' CE ' HD12 ' A' ' 61' ' ' LEU . 40.1 ttm -86.56 108.37 18.54 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 121.454 0.645 . . . . 74.0 111.156 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.0 p -92.61 -178.98 5.04 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 114.879 -1.055 . . . . 71.22 108.871 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.69 -34.63 76.1 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.448 -0.575 . . . . 74.31 109.448 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -61.24 -53.27 58.92 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.921 -0.582 . . . . 72.32 110.132 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.24 90.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 73.25 110.088 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.633 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.4 111.89 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.44 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' CE ' ' A' ' 53' ' ' MET . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.43 110.732 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.33 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' HE21 ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 72.34 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.41 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 74.21 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.1 mm-40 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.43 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.572 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.1 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 74.24 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.32 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 75.14 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.736 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 72.2 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.33 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.11 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.46 -7.07 55.88 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.13 114.115 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -65.72 -39.38 91.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.52 0.66 . . . . 71.23 111.206 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 67' ' ' GLN . 92.3 m-85 -107.82 96.96 6.75 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.722 -0.672 . . . . 73.3 109.514 177.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 122.287 -0.258 . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 74.12 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.468 ' CE ' HD12 ' A' ' 61' ' ' LEU . 44.8 ttm -136.79 133.3 35.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.22 0.533 . . . . 72.44 111.34 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -108.02 171.74 7.23 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.132 -1.433 . . . . 71.53 107.132 173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.08 -31.06 71.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 74.21 108.829 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -62.1 -51.77 66.58 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.46 -0.791 . . . . 72.12 110.156 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.77 84.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 71.45 110.569 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.627 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.24 111.623 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.52 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.45 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 74.24 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.12 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 73.22 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.55 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 72.41 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.55 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 17.5 mm-40 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.23 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 64.33 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.11 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 71.31 111.709 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.35 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 74.42 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 74.43 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.92 13.02 21.08 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.13 113.462 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.74 -56.49 4.92 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 120.275 -0.57 . . . . 74.05 109.689 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 83.0 m-85 -85.72 -88.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.705 -0.68 . . . . 75.34 109.797 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 121.976 -0.452 . . . . 33.02 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 . . . . . . . . 72.11 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.768 ' HE2' HD12 ' A' ' 61' ' ' LEU . 15.1 tpt -149.43 131.55 15.38 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.051 -0.722 . . . . 74.21 109.051 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.2 p -118.24 170.2 9.08 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 109.442 -0.577 . . . . 74.41 109.442 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -75.7 -31.28 59.61 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 108.009 -1.108 . . . . 65.34 108.009 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.5 m -63.32 -43.56 97.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.259 -0.882 . . . . 51.43 109.719 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.53 -40.5 94.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 72.01 109.652 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.636 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.674 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 72.01 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.05 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.768 HD12 ' HE2' ' A' ' 53' ' ' MET . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.13 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.52 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' HG ' HE21 ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 73.35 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.32 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.04 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.4 mm-40 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 61.2 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 64.7 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.33 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 63.0 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.24 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.729 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.15 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.12 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.03 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.41 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.21 5.04 64.11 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 72.11 114.448 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.84 -36.5 49.95 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 118.012 0.906 . . . . 75.22 110.566 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 97.5 m-85 -115.99 93.84 4.42 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.237 -0.892 . . . . 73.13 108.955 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.709 0 CA-C-N 116.628 -0.26 . . . . 71.43 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 . . . . . . . . 72.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 61' ' ' LEU . 40.5 tpp -111.43 105.92 14.68 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.203 0.525 . . . . 71.42 110.936 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -116.12 -177.14 3.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.008 -1.108 . . . . 73.31 108.008 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 42.0 ttm180 -65.12 -31.89 73.31 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.492 -0.559 . . . . 75.41 109.492 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.0 m -58.56 -54.22 49.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.954 -0.566 . . . . 61.4 109.737 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.58 91.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.886 -0.597 . . . . 73.11 110.243 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.44 112.379 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.41 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD11 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.42 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 74.12 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HG ' HE21 ' A' ' 67' ' ' GLN . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 65.5 112.387 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.21 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.03 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.4 HE21 ' HG ' ' A' ' 63' ' ' LEU . 58.6 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 74.12 110.514 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.21 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 75.22 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.794 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 74.45 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.714 ' HZ1' ' HB2' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 75.22 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.42 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 72.52 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.31 18.56 13.04 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 72.44 114.226 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.8 mp -84.85 -35.34 22.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.352 0.596 . . . . 75.52 110.168 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -107.86 105.54 15.4 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.461 -0.79 . . . . 75.44 109.325 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 116.588 -0.278 . . . . 65.42 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 . . . . . . . . 73.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.945 ' HE2' HD12 ' A' ' 61' ' ' LEU . 26.9 ptm -134.04 154.27 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.244 -0.65 . . . . 65.52 109.244 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.4 p -90.56 171.85 9.11 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.878 -0.416 . . . . 72.44 109.878 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.81 -22.43 46.26 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.945 -1.131 . . . . 73.32 107.945 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 m -63.46 -47.18 82.87 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.053 -0.976 . . . . 74.34 108.545 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.33 89.13 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.491 -0.777 . . . . 73.24 110.27 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.34 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.01 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.945 HD12 ' HE2' ' A' ' 53' ' ' MET . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 75.52 111.591 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 74.22 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' HE21 ' A' ' 67' ' ' GLN . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 71.22 112.346 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.51 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.43 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.516 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 72.15 109.906 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 73.44 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 75.01 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.724 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.23 112.135 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.51 109.113 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.33 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.57 25.23 12.27 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 53.52 113.04 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.9 mp -92.64 -55.75 3.27 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.425 -0.456 . . . . 71.34 110.047 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 98.4 m-85 -87.19 83.16 7.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.329 0.585 . . . . 75.32 109.75 177.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.985 0 O-C-N 122.072 -0.392 . . . . 42.11 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 . . . . . . . . 61.5 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.514 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -95.03 119.51 33.66 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 107.403 -1.332 . . . . 62.15 107.403 . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.509 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 41.4 p -121.66 -176.77 3.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.999 -0.546 . . . . 72.22 109.983 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -28.87 62.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.191 -1.04 . . . . 74.34 108.191 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -68.27 -44.46 75.51 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 115.223 -0.899 . . . . 64.04 109.006 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB1' ' H ' ' A' ' 54' ' ' THR . . . -63.99 -35.84 82.01 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.11 110.199 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.423 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 74.15 111.517 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.05 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 73.12 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD12 ' HE3' ' A' ' 53' ' ' MET . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.2 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.33 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' HG ' HE21 ' A' ' 67' ' ' GLN . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 74.35 112.051 -175.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.51 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 73.23 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 74.11 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.457 HE21 ' HG ' ' A' ' 63' ' ' LEU . 73.7 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.11 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 73.52 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.32 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.683 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.41 111.305 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 74.3 110.227 172.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.33 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 72.34 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 -0.65 17.96 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 55.23 113.959 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -80.97 -53.45 6.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 117.514 0.657 . . . . 74.43 112.349 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 90.7 m-85 -92.99 103.23 15.56 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.104 0.478 . . . . 71.42 110.33 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.475 -0.329 . . . . 71.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.781 . . . . . . . . 73.55 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.915 ' HE2' HD12 ' A' ' 61' ' ' LEU . 22.7 ptm -148.54 152.2 36.43 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.747 -0.464 . . . . 74.21 109.747 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.7 p -88.37 173.15 8.9 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 110.07 -0.344 . . . . 72.14 110.07 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -18.18 63.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.501 0.667 . . . . 75.51 109.324 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -71.53 -42.58 67.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.541 -0.754 . . . . 75.11 109.949 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.73 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.965 -0.754 . . . . 72.55 108.965 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.32 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 74.54 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.21 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.915 HD12 ' HE2' ' A' ' 53' ' ' MET . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 72.1 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.522 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.43 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.71 ' HG ' HE21 ' A' ' 67' ' ' GLN . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 74.43 112.323 -175.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.489 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 74.3 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.0 mm-40 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 63.14 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.71 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 71.33 109.267 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.11 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.23 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.753 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 74.2 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 72.25 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.02 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 70.03 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.44 11.76 62.08 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 74.42 115.664 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.4 mp -90.31 -42.89 10.71 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 118.045 0.922 . . . . 50.43 110.954 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.644 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 83.5 m-85 -97.91 -95.04 0.22 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.406 -0.361 . . . . 72.43 110.388 176.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 122.124 -0.36 . . . . 72.43 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 71.34 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.511 ' HE3' HD22 ' A' ' 61' ' ' LEU . 50.2 ttm -140.52 114.7 9.17 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.17 0.509 . . . . 75.34 111.26 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -101.57 -179.22 3.96 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.936 -1.505 . . . . 71.42 106.936 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -68.93 -19.4 64.19 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.441 0.639 . . . . 72.52 110.875 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 m -78.09 -39.15 42.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.781 -0.822 . . . . 72.34 108.781 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.81 85.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.11 108.478 174.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.668 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 65.43 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 71.54 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.54 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 HD22 ' HE3' ' A' ' 53' ' ' MET . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.42 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HG ' HE21 ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 71.42 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.35 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.41 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 16.1 mm-40 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.23 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.538 HE21 ' HG ' ' A' ' 63' ' ' LEU . 66.1 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 74.21 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 73.23 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.74 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.22 111.964 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.24 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.3 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.52 23.22 68.17 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 63.23 115.295 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.738 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.0 mp -85.37 -44.72 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.204 1.002 . . . . 72.23 110.518 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 65.8 m-85 -92.95 93.59 8.45 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.184 -0.673 . . . . 72.14 109.184 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-N 116.266 -0.425 . . . . 54.44 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.616 . . . . . . . . 51.31 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.429 ' CE ' HD12 ' A' ' 61' ' ' LEU . 48.1 ttm -149.05 117.38 6.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.19 0.519 . . . . 75.3 111.664 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 p -94.58 -173.79 3.13 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.933 -0.766 . . . . 74.23 108.933 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -72.21 -28.18 63.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.558 -0.904 . . . . 72.41 108.558 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.5 m -74.4 -42.38 59.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.132 -0.94 . . . . 63.31 110.172 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.65 91.95 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.22 109.082 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.627 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.04 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 75.53 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.546 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 74.02 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.554 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.12 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 72.12 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 71.21 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 74.24 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.5 mm-40 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.31 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 65.43 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 63.2 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.627 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.02 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.12 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 74.44 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.31 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 74.11 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.05 0.39 22.59 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.32 113.621 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.68 -48.65 12.28 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 117.344 0.572 . . . . 72.32 111.094 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.624 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 99.0 m-85 -106.91 80.95 1.49 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.629 -0.428 . . . . 75.55 109.928 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 CA-C-N 116.479 -0.328 . . . . 72.5 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.543 . . . . . . . . 55.03 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.807 ' HE2' HD12 ' A' ' 61' ' ' LEU . 16.8 tpt -84.61 99.43 10.77 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.415 0.626 . . . . 73.52 110.104 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.9 p -108.65 -176.64 3.1 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.478 -0.783 . . . . 75.55 109.704 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -69.17 -28.9 66.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 65.11 108.113 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -65.07 -47.19 78.15 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.058 -0.974 . . . . 71.25 109.758 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.72 97.99 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 75.31 109.224 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.34 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 73.45 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.05 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.807 HD12 ' HE2' ' A' ' 53' ' ' MET . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 73.44 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.33 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.616 ' HG ' HE21 ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.24 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.482 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 74.01 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 74.41 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.5 mm-40 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 71.23 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.616 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.7 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 72.31 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.53 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.12 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.773 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.42 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.23 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 72.11 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 74.42 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.2 33.44 9.52 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 74.32 113.927 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.2 mp -96.39 -62.95 1.19 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 117.598 0.699 . . . . 65.15 110.424 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -157.22 116.17 3.3 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.671 -0.492 . . . . 75.24 109.671 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.158 -0.474 . . . . 53.43 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 . . . . . . . . 73.15 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.547 ' HE3' HD22 ' A' ' 61' ' ' LEU . 48.8 ttm -105.58 99.91 9.49 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.685 0.755 . . . . 75.44 111.123 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 p -101.41 -177.95 3.59 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.664 -1.153 . . . . 75.03 108.607 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -63.6 -27.06 68.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.928 0.394 . . . . 75.53 110.841 173.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -70.75 -45.36 64.94 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.271 -0.64 . . . . 64.31 109.271 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.9 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 75.24 110.184 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.24 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.34 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.52 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 HD22 ' HE3' ' A' ' 53' ' ' MET . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.12 111.53 176.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.22 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' HE21 ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.34 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.417 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.44 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.0 mm-40 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.444 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.12 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 73.52 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 75.13 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.732 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 53.32 111.189 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 72.31 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.31 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.12 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.43 19.87 59.6 Favored Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.24 114.358 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.27 -38.16 60.61 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 117.804 0.802 . . . . 73.51 109.096 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.61 ' HD1' ' CD2' ' A' ' 76' ' ' PHE . 96.6 m-85 -118.19 132.5 56.32 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.651 -1.24 . . . . 64.31 107.651 178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 CA-C-N 116.804 -0.18 . . . . 74.45 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 . . . . . . . . 64.12 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.971 ' HE2' HD12 ' A' ' 61' ' ' LEU . 27.0 ptm -140.46 149.06 42.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.325 -0.62 . . . . 71.24 109.325 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.7 p -86.35 175.87 8.2 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.617 -0.883 . . . . 71.04 108.617 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -81.22 -23.63 37.97 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.583 -0.447 . . . . 72.52 109.904 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -66.21 -38.36 87.77 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.104 -0.702 . . . . 70.23 109.104 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.08 -38.11 87.58 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.02 109.297 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.634 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 71.13 110.555 176.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 55.31 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.971 HD12 ' HE2' ' A' ' 53' ' ' MET . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.13 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.11 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.24 112.157 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.12 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 74.4 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.22 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.573 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.42 110.477 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.21 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 73.21 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.665 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.22 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 74.33 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.34 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.01 110.342 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.02 11.12 50.55 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.34 114.181 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 8.1 mp -72.64 -50.52 24.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.473 0.637 . . . . 73.42 112.71 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.653 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 96.1 m-85 -94.65 85.69 4.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.287 0.565 . . . . 72.05 111.256 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 116.273 -0.421 . . . . 60.33 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.623 . . . . . . . . 65.32 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.812 ' HE2' HD12 ' A' ' 61' ' ' LEU . 17.4 tpt -95.5 125.82 40.37 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.917 -0.401 . . . . 73.43 109.917 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.3 p -123.63 167.39 14.03 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.578 -0.897 . . . . 74.22 108.578 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.271 4.2 ppt_? -76.32 -14.38 60.1 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 119.995 -0.682 . . . . 75.32 111.118 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -48.11 55.77 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.698 -1.223 . . . . 61.54 107.698 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -60.01 -37.92 81.14 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.861 -0.609 . . . . 72.31 109.47 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.14 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 70.21 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 71.15 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.812 HD12 ' HE2' ' A' ' 53' ' ' MET . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 63.4 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.33 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.646 ' HG ' HE21 ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 71.35 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.15 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.5 ' HD3' HD11 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 75.22 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 14.2 mm-40 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.11 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.646 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.9 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.21 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.4 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.32 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.724 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 74.11 111.281 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.31 109.733 170.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 74.12 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.11 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.78 4.1 36.67 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.67 -40.78 47.86 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.906 0.86 . . . . 75.23 109.427 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.64 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 98.9 m-85 -110.34 99.94 8.88 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.088 -1.078 . . . . 74.2 108.088 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 CA-C-N 116.46 -0.336 . . . . 74.41 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 74.41 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.444 ' HG3' ' HB1' ' A' ' 57' ' ' ALA . 43.2 ttm -98.54 116.38 30.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.567 . . . . 73.55 110.408 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -93.59 178.6 5.64 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.162 -0.926 . . . . 74.34 108.871 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -65.0 -30.32 71.3 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.585 0.231 . . . . 75.15 110.615 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -67.4 -45.23 76.8 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.703 -0.851 . . . . 72.4 108.703 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB1' ' HG3' ' A' ' 53' ' ' MET . . . -60.39 -42.13 95.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 75.53 109.39 177.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.616 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 72.35 111.496 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.51 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.41 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.23 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.12 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 74.52 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 73.22 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.7 mm-40 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.33 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 68.7 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 73.54 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 75.33 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 75.1 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.725 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.13 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.705 ' HD3' ' HB2' ' A' ' 76' ' ' PHE . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 71.31 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.05 111.713 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.96 28.76 55.96 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 62.15 114.521 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -93.21 -40.07 10.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 117.647 0.724 . . . . 74.34 109.616 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 1.658 ' HE1' ' CE2' ' A' ' 76' ' ' PHE . 97.0 m-85 -102.51 95.57 6.34 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.244 -1.021 . . . . 75.53 108.244 174.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-N 116.651 -0.25 . . . . 41.21 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 . . . . . . . . 71.31 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.672 ' HG3' ' HB1' ' A' ' 57' ' ' ALA . 45.3 ttm -94.87 118.17 31.34 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.338 0.589 . . . . 74.45 111.407 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 p -95.1 -178.36 4.45 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.338 -0.847 . . . . 65.23 109.054 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -61.38 -33.53 73.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.267 -1.012 . . . . 73.23 108.267 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -58.94 -50.28 74.65 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.489 -0.778 . . . . 62.45 109.995 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.672 ' HB1' ' HG3' ' A' ' 53' ' ' MET . . . -64.85 -40.79 95.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.833 -0.621 . . . . 60.55 110.111 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 75.34 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 71.34 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.05 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 74.04 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.01 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.619 ' HG ' HE21 ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 72.44 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.24 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.32 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 73.15 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.619 HE21 ' HG ' ' A' ' 63' ' ' LEU . 70.7 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.51 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.54 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.719 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 64.31 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.52 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.54 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.33 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.64 11.8 29.94 Favored Glycine 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 72.02 113.556 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.5 mp -77.05 -57.65 3.72 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 117.394 0.597 . . . . 72.23 111.085 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 27.6 p90 -156.46 97.8 1.78 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.453 0.644 . . . . 73.22 110.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.737 0 CA-C-N 116.159 -0.473 . . . . 62.32 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.482 . . . . . . . . 64.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.626 ' HE2' HD12 ' A' ' 61' ' ' LEU . 24.6 ptm -96.41 140.09 31.58 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 108.82 -0.807 . . . . 72.32 108.82 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.3 p -74.21 160.78 30.68 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.729 -0.669 . . . . 64.21 112.617 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 29.9 ttp180 -64.53 -26.44 68.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 74.23 110.124 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.2 t -64.01 -40.37 96.19 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.923 -0.58 . . . . 54.12 109.71 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -36.44 70.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 62.42 108.891 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.59 ' HE2' ' CE1' ' A' ' 58' ' ' PHE . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.04 111.101 176.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 75.13 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.11 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.626 HD12 ' HE2' ' A' ' 53' ' ' MET . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 75.25 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 75.04 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.43 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.49 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 74.42 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HD2' HD11 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.12 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.6 mm-40 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.32 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.502 HE21 ' HG ' ' A' ' 63' ' ' LEU . 72.2 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 72.13 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 64.22 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.32 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.727 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 53.5 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 76' ' ' PHE . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 74.51 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.13 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.24 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.07 16.18 6.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 74.34 114.878 172.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.4 -64.47 1.14 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 117.561 0.68 . . . . 74.43 111.775 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.669 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . 50.6 m-85 -85.29 113.22 21.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.427 -0.351 . . . . 74.32 110.211 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 CA-C-N 116.7 -0.227 . . . . 54.3 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.4 . . . . . . . . 52.44 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.539 ' HE3' HD22 ' A' ' 61' ' ' LEU . 49.1 ttm -88.56 96.29 10.57 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.43 0.633 . . . . 64.22 110.271 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.5 p -88.66 -173.32 4.09 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.772 -1.104 . . . . 75.14 108.699 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 mtm-85 -73.13 -22.23 60.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.366 -0.605 . . . . 75.35 109.366 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 m -72.29 -46.29 56.41 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.088 -0.96 . . . . 71.4 109.386 174.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.61 95.23 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 74.3 109.186 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.42 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 72.32 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 73.35 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD22 ' HE3' ' A' ' 53' ' ' MET . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 74.52 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 64.52 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 65.23 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 73.52 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD3' HD11 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.5 mm-40 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.32 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.585 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.8 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.32 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.54 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.12 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.763 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.43 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 74.5 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.11 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 74.25 109.34 -174.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 20.98 10.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.43 113.928 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -84.6 -55.96 3.85 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 117.219 0.51 . . . . 74.21 110.278 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 16.7 p90 -150.03 88.96 1.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.706 -0.679 . . . . 71.24 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 CA-C-N 115.658 -0.701 . . . . 63.44 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.420000000000002 108.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 73.200000000000003 110.703 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.32 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.299999999999997 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 71.319999999999993 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.510000000000005 112.373 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.420000000000002 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD3' HD13 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.319999999999993 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 64.340000000000003 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.530000000000001 110.242 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 62.210000000000001 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 61.0 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 71.530000000000001 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 64.120000000000005 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 65.120000000000005 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 71.549999999999997 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.409999999999997 114.01 175.634 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 32.240000000000002 110.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 72.400000000000006 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.439999999999998 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.409999999999997 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD13 ' HD3' ' A' ' 65' ' ' LYS . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.099999999999994 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.539999999999999 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.209999999999994 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.239999999999995 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.430000000000007 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 72.010000000000005 108.716 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.519999999999996 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 42.340000000000003 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.756 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 73.010000000000005 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.239999999999995 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.109999999999999 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 73.310000000000002 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.66 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.310000000000002 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 34.420000000000002 115.404 173.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 44.420000000000002 107.682 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 61.030000000000001 110.429 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 74.219999999999999 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.109999999999999 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 65' ' ' LYS . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.340000000000003 111.693 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 73.510000000000005 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 65.010000000000005 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.239999999999995 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 61' ' ' LEU . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 60.100000000000001 110.875 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.3 mm100 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.319999999999993 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 73.209999999999994 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 74.549999999999997 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 72.019999999999996 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.140000000000001 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 50.030000000000001 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.530000000000001 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.329999999999998 114.331 173.637 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 70.120000000000005 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.400000000000006 111.89 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.439999999999998 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.430000000000007 110.732 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.329999999999998 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 71.510000000000005 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.409999999999997 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 65.5 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.7 mm100 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.129999999999995 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 19.9 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 70.209999999999994 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.319999999999993 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 54.219999999999999 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.408 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 65.150000000000006 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.329999999999998 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.109999999999999 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.129999999999995 114.115 176.464 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 52.340000000000003 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.239999999999995 111.623 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.519999999999996 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.450000000000003 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.404 ' HB2' ' OE1' ' A' ' 66' ' ' GLN . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 72.209999999999994 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.120000000000005 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 60.100000000000001 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.549999999999997 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 51.299999999999997 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.8 mm100 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.230000000000004 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 63.439999999999998 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.109999999999999 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 54.119999999999997 111.709 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.349999999999994 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 71.409999999999997 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 71.310000000000002 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.129999999999995 113.462 176.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 61.240000000000002 109.652 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 111.674 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 60.340000000000003 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.049999999999997 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.129999999999995 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.519999999999996 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 64.209999999999994 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.319999999999993 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 53.530000000000001 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 17.1 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.329999999999998 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 43.409999999999997 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.562 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.150000000000006 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.120000000000005 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.030000000000001 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.868 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.409999999999997 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 63.219999999999999 114.448 176.671 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.041 0.448 . . . . 73.109999999999999 110.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.439999999999998 112.379 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.409999999999997 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.508 HD13 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.420000000000002 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 70.230000000000004 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 62.299999999999997 112.387 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.209999999999994 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HD3' HD13 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.2 mm100 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.030000000000001 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 64.510000000000005 110.514 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.209999999999994 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 72.209999999999994 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 71.349999999999994 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 64.349999999999994 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.109999999999999 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 60.299999999999997 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 70.319999999999993 114.226 175.108 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 120.831 0.348 . . . . 44.509999999999998 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.340000000000003 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.010000000000005 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.420000000000002 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 72.140000000000001 111.591 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 63.340000000000003 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 63.509999999999998 112.346 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.510000000000005 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.0 mm100 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.430000000000007 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 70.0 109.906 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 52.210000000000001 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 72.019999999999996 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.229999999999997 112.135 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.510000000000005 109.113 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.130000000000003 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.340000000000003 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 41.32 113.04 179.491 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.109999999999999 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 64.530000000000001 111.517 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.049999999999997 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 70.439999999999998 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 65' ' ' LYS . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.200000000000003 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.140000000000001 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 61.530000000000001 112.051 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.510000000000005 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' HD13 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 70.430000000000007 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 50.039999999999999 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.349999999999994 110.11 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 64.540000000000006 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.319999999999993 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.409999999999997 111.305 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.227 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.329999999999998 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 64.409999999999997 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 50.399999999999999 113.959 177.516 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.965 -0.754 . . . . 72.549999999999997 108.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.319999999999993 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 52.25 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.209999999999994 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 65' ' ' LYS . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 70.120000000000005 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.430000000000007 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 52.420000000000002 112.323 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 63.530000000000001 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HD2' HD13 ' A' ' 61' ' ' LEU . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 65.319999999999993 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.9 mm100 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 61.420000000000002 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 63.520000000000003 109.267 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.109999999999999 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.230000000000004 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 73.200000000000003 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 42.520000000000003 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.019999999999996 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 54.329999999999998 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 62.240000000000002 115.664 172.337 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.109999999999999 108.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 64.400000000000006 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 63.409999999999997 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.540000000000006 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 58' ' ' PHE . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.420000000000002 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 43.299999999999997 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.349999999999994 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.409999999999997 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.4 mm100 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.230000000000004 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 19.5 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 63.329999999999998 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 64.120000000000005 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.219999999999999 111.964 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.239999999999995 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.299999999999997 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.439999999999998 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 34.140000000000001 115.295 175.083 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.219999999999999 109.082 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.040000000000006 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.109999999999999 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 74.409999999999997 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HB2' ' OE1' ' A' ' 66' ' ' GLN . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 54.450000000000003 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.120000000000005 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 71.439999999999998 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 63.299999999999997 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 55.030000000000001 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.6 mm100 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.310000000000002 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 54.399999999999999 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 61.210000000000001 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.019999999999996 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.120000000000005 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 72.420000000000002 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.310000000000002 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 71.510000000000005 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.319999999999993 113.621 178.109 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 74.140000000000001 109.224 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.319999999999993 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 63.219999999999999 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.049999999999997 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' A' ' 65' ' ' LYS . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 72.109999999999999 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.329999999999998 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.239999999999995 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 71.549999999999997 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 65.120000000000005 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 54.130000000000003 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 18.0 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 61.43 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.530000000000001 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.120000000000005 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.418 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.420000000000002 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.230000000000004 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 50.130000000000003 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 51.030000000000001 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 64.430000000000007 113.927 176.73 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 110.184 -0.302 . . . . 73.409999999999997 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.239999999999995 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.340000000000003 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.130000000000003 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.120000000000005 111.53 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.219999999999999 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.340000000000003 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.439999999999998 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.230000000000004 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.219999999999999 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 17.9 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.120000000000005 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 23.210000000000001 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 73.310000000000002 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 51.399999999999999 111.189 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 65.099999999999994 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.310000000000002 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.120000000000005 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.239999999999995 114.358 176.679 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.019999999999996 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 64.420000000000002 110.555 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 52.350000000000001 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.762 HD13 ' HD3' ' A' ' 65' ' ' LYS . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.129999999999995 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.109999999999999 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.239999999999995 112.157 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.120000000000005 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HD3' HD13 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 60.530000000000001 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.0 mm100 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.219999999999999 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.420000000000002 110.477 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.210000000000001 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 70.430000000000007 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.219999999999999 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 73.299999999999997 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.340000000000003 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG3' ' HE2' ' A' ' 70' ' ' MET . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.010000000000005 110.342 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.340000000000003 114.181 177.556 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 109.47 -0.567 . . . . 42.200000000000003 109.47 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.140000000000001 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 60.43 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 64.549999999999997 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD13 ' HD3' ' A' ' 65' ' ' LYS . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 55.32 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.329999999999998 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 70.25 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.150000000000006 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HD3' HD13 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 71.510000000000005 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.109999999999999 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 19.8 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.209999999999994 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.400000000000006 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.319999999999993 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 63.130000000000003 111.281 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.310000000000002 109.733 170.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 65.010000000000005 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.109999999999999 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 52.509999999999998 109.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 63.219999999999999 111.496 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.510000000000005 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.409999999999997 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.230000000000004 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.120000000000005 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 62.420000000000002 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 65.519999999999996 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.439999999999998 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.1 mm100 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.329999999999998 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.4 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 62.439999999999998 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 53.130000000000003 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 72.140000000000001 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.435 ' HE2' ' HD3' ' A' ' 73' ' ' LYS . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.129999999999995 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 62.520000000000003 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD3' ' HE2' ' A' ' 70' ' ' MET . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.049999999999997 111.713 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 44.130000000000003 114.521 174.493 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 110.111 -0.329 . . . . 60.549999999999997 110.111 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 71.430000000000007 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 50.43 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.049999999999997 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 65' ' ' LYS . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 64.120000000000005 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.010000000000005 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 71.150000000000006 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.239999999999995 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.319999999999993 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.1 mm100 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 70.340000000000003 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 22.3 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.510000000000005 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.540000000000006 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.450000000000003 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.482 ' HE2' ' HG3' ' A' ' 73' ' ' LYS . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 61.020000000000003 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.519999999999996 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.540000000000006 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.827 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.329999999999998 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 53.109999999999999 113.556 177.308 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 54.350000000000001 108.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.040000000000006 111.101 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 63.5 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.109999999999999 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD13 ' HD2' ' A' ' 65' ' ' LYS . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 72.519999999999996 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 63.509999999999998 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.430000000000007 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 65.530000000000001 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.72 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.120000000000005 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.0 mm100 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.319999999999993 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 21.9 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 70.030000000000001 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 42.509999999999998 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.319999999999993 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 51.200000000000003 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 64.430000000000007 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.129999999999995 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.239999999999995 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 73.299999999999997 114.878 172.493 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 62.509999999999998 109.186 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.420000000000002 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 53.030000000000001 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 71.120000000000005 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 65' ' ' LYS . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 51.399999999999999 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 52.329999999999998 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 61.140000000000001 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 64.549999999999997 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HD3' HD13 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 64.340000000000003 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.319999999999993 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 20.7 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.319999999999993 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.540000000000006 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.120000000000005 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.109999999999999 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 73.200000000000003 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.109999999999999 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 72.519999999999996 109.34 -174.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.430000000000007 113.928 176.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 74.200000000000003 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.488 ' HE1' HD11 ' A' ' 61' ' ' LEU . 27.1 ttt -119.48 116.16 25.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.267 0.555 . . . . 74.219999999999999 110.449 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -85.71 163.37 18.28 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.567 -0.742 . . . . 71.030000000000001 111.53 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 75.329999999999998 111.343 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -73.29 -36.43 66.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.16 -0.473 . . . . 72.140000000000001 110.514 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.46 93.16 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.420000000000002 108.968 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 73.200000000000003 110.703 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.32 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.129999999999995 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.299999999999997 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 71.319999999999993 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.510000000000005 112.373 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.420000000000002 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD3' HD13 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.319999999999993 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 64.340000000000003 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.530000000000001 110.242 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 62.210000000000001 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 61.0 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.577 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 71.530000000000001 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 64.120000000000005 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 65.120000000000005 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 71.549999999999997 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.45 34.81 3.76 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.409999999999997 114.01 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -87.69 -32.68 19.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.281 0.562 . . . . 71.299999999999997 110.034 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.88 86.59 2.53 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.513 -0.767 . . . . 62.439999999999998 109.474 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.745 0 CA-C-N 116.298 -0.41 . . . . 31.539999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 . . . . . . . . 43.130000000000003 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 61' ' ' LEU . 43.8 ttm -72.94 119.61 17.42 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 65.430000000000007 110.429 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -78.59 179.36 7.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.422 -0.808 . . . . 74.519999999999996 110.201 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -73.67 -34.38 64.88 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.476 -1.305 . . . . 72.099999999999994 107.476 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -67.03 -42.44 84.87 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.602 -1.181 . . . . 42.340000000000003 110.578 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -63.8 -35.86 82.01 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 32.240000000000002 110.312 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 72.400000000000006 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.439999999999998 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.409999999999997 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD11 ' SD ' ' A' ' 53' ' ' MET . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.099999999999994 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.539999999999999 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.209999999999994 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.239999999999995 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.430000000000007 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 72.010000000000005 108.716 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.519999999999996 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 42.340000000000003 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.756 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 73.010000000000005 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.728 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.239999999999995 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.109999999999999 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 73.310000000000002 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.66 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.310000000000002 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.65 24.84 71.44 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 34.420000000000002 115.404 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.728 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -90.17 -35.23 15.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 118.081 0.941 . . . . 73.140000000000001 108.906 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 88.4 m-85 -115.27 94.7 4.84 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.755 -1.111 . . . . 74.140000000000001 108.75 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 CA-C-N 116.12 -0.491 . . . . 63.210000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.419 . . . . . . . . 71.439999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.2 ttm -151.97 113.6 4.37 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.278 0.561 . . . . 72.140000000000001 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 p -95.03 -178.74 4.58 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.775 -0.824 . . . . 74.430000000000007 108.775 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.616 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 2.9 mpt_? -75.68 -12.28 60.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.037 0.446 . . . . 63.409999999999997 111.778 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 p -81.84 -42.92 18.95 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 110.035 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.18 82.67 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 44.420000000000002 107.682 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.616 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 61.030000000000001 110.429 175.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 74.219999999999999 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.109999999999999 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 65' ' ' LYS . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.340000000000003 111.693 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 73.510000000000005 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 65.010000000000005 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.239999999999995 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 61' ' ' LEU . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 60.100000000000001 110.875 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.3 mm100 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.565 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.319999999999993 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 73.209999999999994 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 74.549999999999997 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.519 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 72.019999999999996 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.140000000000001 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 50.030000000000001 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.530000000000001 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.5 32.15 3.5 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.329999999999998 114.331 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.1 mp -96.89 -59.9 1.7 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.322 0.582 . . . . 70.409999999999997 110.651 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 15.0 p90 -151.68 95.01 2.06 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.371 -0.831 . . . . 75.510000000000005 110.361 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.733 0 CA-C-N 115.666 -0.697 . . . . 31.109999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.626 . . . . . . . . 30.34 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 61' ' ' LEU . 40.1 ttm -86.56 108.37 18.54 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 121.454 0.645 . . . . 72.200000000000003 111.156 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.0 p -92.61 -178.98 5.04 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 114.879 -1.055 . . . . 71.219999999999999 108.871 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.69 -34.63 76.1 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.448 -0.575 . . . . 73.329999999999998 109.448 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -61.24 -53.27 58.92 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.921 -0.582 . . . . 51.109999999999999 110.132 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.24 90.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 70.120000000000005 110.088 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.400000000000006 111.89 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.439999999999998 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD11 ' CE ' ' A' ' 53' ' ' MET . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.430000000000007 110.732 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.329999999999998 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 71.510000000000005 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.409999999999997 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 65.5 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.7 mm100 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.129999999999995 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 19.9 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 70.209999999999994 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.319999999999993 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 54.219999999999999 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.582 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 65.150000000000006 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.329999999999998 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.109999999999999 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.46 -7.07 55.88 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.129999999999995 114.115 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -65.72 -39.38 91.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.52 0.66 . . . . 61.409999999999997 111.206 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 67' ' ' GLN . 92.3 m-85 -107.82 96.96 6.75 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.722 -0.672 . . . . 73.299999999999997 109.514 177.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 122.287 -0.258 . . . . 44.340000000000003 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 74.120000000000005 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 61' ' ' LEU . 44.8 ttm -136.79 133.3 35.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.22 0.533 . . . . 64.129999999999995 111.34 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -108.02 171.74 7.23 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.132 -1.433 . . . . 44.229999999999997 107.132 173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.08 -31.06 71.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 53.130000000000003 108.829 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -62.1 -51.77 66.58 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.46 -0.791 . . . . 41.509999999999998 110.156 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.77 84.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 52.340000000000003 110.569 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.239999999999995 111.623 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.519999999999996 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.450000000000003 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD11 ' CE ' ' A' ' 53' ' ' MET . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 72.209999999999994 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.120000000000005 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 60.100000000000001 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.549999999999997 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 51.299999999999997 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.8 mm100 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.230000000000004 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 63.439999999999998 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.109999999999999 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.427 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 54.119999999999997 111.709 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.349999999999994 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 71.409999999999997 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 71.310000000000002 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.92 13.02 21.08 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.129999999999995 113.462 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.74 -56.49 4.92 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 120.275 -0.57 . . . . 74.049999999999997 109.689 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 83.0 m-85 -85.72 -88.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.705 -0.68 . . . . 75.340000000000003 109.797 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 121.976 -0.452 . . . . 22.440000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 . . . . . . . . 51.450000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.1 tpt -149.43 131.55 15.38 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.051 -0.722 . . . . 74.209999999999994 109.051 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.2 p -118.24 170.2 9.08 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 109.442 -0.577 . . . . 74.409999999999997 109.442 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -75.7 -31.28 59.61 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 108.009 -1.108 . . . . 60.25 108.009 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.5 m -63.32 -43.56 97.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.259 -0.882 . . . . 43.210000000000001 109.719 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.53 -40.5 94.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 61.240000000000002 109.652 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 111.674 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 60.340000000000003 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.049999999999997 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.129999999999995 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.519999999999996 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 64.209999999999994 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.319999999999993 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 53.530000000000001 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.528 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 17.1 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.329999999999998 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 43.409999999999997 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.562 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.150000000000006 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.120000000000005 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.030000000000001 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.868 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.409999999999997 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.21 5.04 64.11 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 63.219999999999999 114.448 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.2 mp -77.84 -36.5 49.95 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 118.012 0.906 . . . . 75.219999999999999 110.566 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 97.5 m-85 -115.99 93.84 4.42 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.237 -0.892 . . . . 73.129999999999995 108.955 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.709 0 CA-C-N 116.628 -0.26 . . . . 71.430000000000007 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 . . . . . . . . 72.299999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.436 ' CE ' HD11 ' A' ' 61' ' ' LEU . 40.5 tpp -111.43 105.92 14.68 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.203 0.525 . . . . 71.420000000000002 110.936 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -116.12 -177.14 3.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.008 -1.108 . . . . 73.310000000000002 108.008 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 42.0 ttm180 -65.12 -31.89 73.31 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.492 -0.559 . . . . 74.510000000000005 109.492 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.0 m -58.56 -54.22 49.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.954 -0.566 . . . . 61.399999999999999 109.737 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.58 91.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.886 -0.597 . . . . 73.109999999999999 110.243 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.439999999999998 112.379 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.409999999999997 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD13 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.420000000000002 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 70.230000000000004 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 62.299999999999997 112.387 -174.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.209999999999994 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HD3' HD13 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.2 mm100 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.030000000000001 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 64.510000000000005 110.514 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.209999999999994 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 72.209999999999994 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.546 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 71.349999999999994 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 64.349999999999994 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.109999999999999 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 60.299999999999997 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.31 18.56 13.04 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 70.319999999999993 114.226 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.8 mp -84.85 -35.34 22.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.352 0.596 . . . . 75.519999999999996 110.168 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -107.86 105.54 15.4 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.461 -0.79 . . . . 63.509999999999998 109.325 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 116.588 -0.278 . . . . 15.039999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 . . . . . . . . 73.019999999999996 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 61' ' ' LEU . 26.9 ptm -134.04 154.27 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.244 -0.65 . . . . 45.539999999999999 109.244 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.4 p -90.56 171.85 9.11 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.878 -0.416 . . . . 71.209999999999994 109.878 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.81 -22.43 46.26 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.945 -1.131 . . . . 73.239999999999995 107.945 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 m -63.46 -47.18 82.87 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.053 -0.976 . . . . 74.340000000000003 108.545 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.33 89.13 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.491 -0.777 . . . . 44.509999999999998 110.27 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.340000000000003 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.010000000000005 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.420000000000002 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.462 HD11 ' CE ' ' A' ' 53' ' ' MET . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 72.140000000000001 111.591 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 63.340000000000003 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 63.509999999999998 112.346 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.510000000000005 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.0 mm100 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.430000000000007 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.491 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 20.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 70.0 109.906 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 52.210000000000001 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 72.019999999999996 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.511 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.229999999999997 112.135 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.510000000000005 109.113 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.130000000000003 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.340000000000003 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.57 25.23 12.27 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 41.32 113.04 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.9 mp -92.64 -55.75 3.27 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.425 -0.456 . . . . 71.340000000000003 110.047 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 98.4 m-85 -87.19 83.16 7.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.329 0.585 . . . . 75.319999999999993 109.75 177.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.985 0 O-C-N 122.072 -0.392 . . . . 42.109999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 . . . . . . . . 53.219999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.03 119.51 33.66 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 107.403 -1.332 . . . . 62.149999999999999 107.403 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.593 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 41.4 p -121.66 -176.77 3.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.999 -0.546 . . . . 72.219999999999999 109.983 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -28.87 62.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.191 -1.04 . . . . 54.140000000000001 108.191 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -68.27 -44.46 75.51 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 115.223 -0.899 . . . . 64.040000000000006 109.006 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HB3' ' H ' ' A' ' 54' ' ' THR . . . -63.99 -35.84 82.01 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.109999999999999 110.199 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 64.530000000000001 111.517 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.049999999999997 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 70.439999999999998 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 65' ' ' LYS . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.200000000000003 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.140000000000001 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 61.530000000000001 112.051 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.510000000000005 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' HD13 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 70.430000000000007 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 50.039999999999999 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 22.5 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.349999999999994 110.11 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 64.540000000000006 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.319999999999993 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.409999999999997 111.305 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.227 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.329999999999998 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 64.409999999999997 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 -0.65 17.96 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 50.399999999999999 113.959 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -80.97 -53.45 6.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 117.514 0.657 . . . . 74.349999999999994 112.349 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 90.7 m-85 -92.99 103.23 15.56 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.104 0.478 . . . . 70.25 110.33 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.475 -0.329 . . . . 71.209999999999994 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.781 . . . . . . . . 73.549999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.552 ' HE2' HD11 ' A' ' 61' ' ' LEU . 22.7 ptm -148.54 152.2 36.43 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.747 -0.464 . . . . 62.439999999999998 109.747 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.7 p -88.37 173.15 8.9 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 110.07 -0.344 . . . . 55.5 110.07 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -18.18 63.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.501 0.667 . . . . 75.510000000000005 109.324 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -71.53 -42.58 67.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.541 -0.754 . . . . 71.219999999999999 109.949 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.73 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.965 -0.754 . . . . 72.549999999999997 108.965 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.319999999999993 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 52.25 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.209999999999994 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD11 ' HE2' ' A' ' 53' ' ' MET . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 70.120000000000005 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.430000000000007 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 52.420000000000002 112.323 -175.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 63.530000000000001 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HD2' HD13 ' A' ' 61' ' ' LEU . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 65.319999999999993 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.9 mm100 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 61.420000000000002 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 63.520000000000003 109.267 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.109999999999999 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.230000000000004 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 73.200000000000003 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 42.520000000000003 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.019999999999996 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 54.329999999999998 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.44 11.76 62.08 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 62.240000000000002 115.664 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.4 mp -90.31 -42.89 10.71 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 118.045 0.922 . . . . 50.43 110.954 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -97.91 -95.04 0.22 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.406 -0.361 . . . . 72.209999999999994 110.388 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 122.124 -0.36 . . . . 72.430000000000007 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 71.340000000000003 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.2 ttm -140.52 114.7 9.17 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.17 0.509 . . . . 60.229999999999997 111.26 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -101.57 -179.22 3.96 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.936 -1.505 . . . . 71.420000000000002 106.936 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -68.93 -19.4 64.19 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.441 0.639 . . . . 71.400000000000006 110.875 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 m -78.09 -39.15 42.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.781 -0.822 . . . . 72.340000000000003 108.781 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.81 85.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.109999999999999 108.478 174.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 64.400000000000006 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 63.409999999999997 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.540000000000006 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 58' ' ' PHE . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.420000000000002 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 43.299999999999997 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.349999999999994 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.409999999999997 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.4 mm100 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.230000000000004 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 19.5 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 63.329999999999998 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 64.120000000000005 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.764 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.219999999999999 111.964 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.239999999999995 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.299999999999997 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.439999999999998 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.52 23.22 68.17 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 34.140000000000001 115.295 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.764 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.0 mp -85.37 -44.72 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.204 1.002 . . . . 72.230000000000004 110.518 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 65.8 m-85 -92.95 93.59 8.45 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.184 -0.673 . . . . 72.030000000000001 109.184 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-N 116.266 -0.425 . . . . 14.1 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.616 . . . . . . . . 43.450000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.44 ' CE ' HD11 ' A' ' 61' ' ' LEU . 48.1 ttm -149.05 117.38 6.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.19 0.519 . . . . 75.299999999999997 111.664 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 p -94.58 -173.79 3.13 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.933 -0.766 . . . . 73.340000000000003 108.933 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -72.21 -28.18 63.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.558 -0.904 . . . . 62.539999999999999 108.558 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.5 m -74.4 -42.38 59.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.132 -0.94 . . . . 63.310000000000002 110.172 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.65 91.95 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.219999999999999 109.082 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.040000000000006 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.109999999999999 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 74.409999999999997 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' CE ' ' A' ' 53' ' ' MET . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 54.450000000000003 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.120000000000005 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 71.439999999999998 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 63.299999999999997 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 55.030000000000001 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.6 mm100 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.310000000000002 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 54.399999999999999 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 61.210000000000001 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.019999999999996 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.120000000000005 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 72.420000000000002 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.310000000000002 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 71.510000000000005 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.05 0.39 22.59 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.319999999999993 113.621 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.68 -48.65 12.28 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 117.344 0.572 . . . . 71.420000000000002 111.094 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.91 80.95 1.49 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.629 -0.428 . . . . 70.420000000000002 109.928 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 CA-C-N 116.479 -0.328 . . . . 2.1000000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.543 . . . . . . . . 55.030000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.457 ' CE ' HD11 ' A' ' 61' ' ' LEU . 16.8 tpt -84.61 99.43 10.77 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.415 0.626 . . . . 63.32 110.104 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.9 p -108.65 -176.64 3.1 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.478 -0.783 . . . . 74.439999999999998 109.704 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -69.17 -28.9 66.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 65.109999999999999 108.113 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -65.07 -47.19 78.15 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.058 -0.974 . . . . 63.420000000000002 109.758 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.72 97.99 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 74.140000000000001 109.224 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.319999999999993 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 63.219999999999999 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.049999999999997 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' A' ' 65' ' ' LYS . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 72.109999999999999 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.329999999999998 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.239999999999995 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 71.549999999999997 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 65.120000000000005 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.3 mm100 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 54.130000000000003 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 18.0 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 61.43 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.530000000000001 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.120000000000005 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.698 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.420000000000002 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.230000000000004 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 50.130000000000003 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 51.030000000000001 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.2 33.44 9.52 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 64.430000000000007 113.927 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.698 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.2 mp -96.39 -62.95 1.19 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 117.598 0.699 . . . . 50.200000000000003 110.424 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -157.22 116.17 3.3 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.671 -0.492 . . . . 71.409999999999997 109.671 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.158 -0.474 . . . . 35.509999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 . . . . . . . . 73.150000000000006 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.8 ttm -105.58 99.91 9.49 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.685 0.755 . . . . 75.439999999999998 111.123 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 p -101.41 -177.95 3.59 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.664 -1.153 . . . . 62.219999999999999 108.607 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -63.6 -27.06 68.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.928 0.394 . . . . 75.530000000000001 110.841 173.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -70.75 -45.36 64.94 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.271 -0.64 . . . . 64.310000000000002 109.271 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.9 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 73.409999999999997 110.184 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.239999999999995 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.340000000000003 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.130000000000003 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.120000000000005 111.53 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.219999999999999 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.340000000000003 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.439999999999998 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.230000000000004 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.219999999999999 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 17.9 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.120000000000005 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 23.210000000000001 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 73.310000000000002 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 51.399999999999999 111.189 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 65.099999999999994 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.310000000000002 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.120000000000005 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.43 19.87 59.6 Favored Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.239999999999995 114.358 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.27 -38.16 60.61 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 117.804 0.802 . . . . 72.430000000000007 109.096 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -118.19 132.5 56.32 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.651 -1.24 . . . . 64.310000000000002 107.651 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 CA-C-N 116.804 -0.18 . . . . 72.030000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 . . . . . . . . 54.530000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.477 ' CE ' HD11 ' A' ' 61' ' ' LEU . 27.0 ptm -140.46 149.06 42.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.325 -0.62 . . . . 71.239999999999995 109.325 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.7 p -86.35 175.87 8.2 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.617 -0.883 . . . . 71.040000000000006 108.617 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -81.22 -23.63 37.97 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.583 -0.447 . . . . 70.409999999999997 109.904 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -66.21 -38.36 87.77 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.104 -0.702 . . . . 62.140000000000001 109.104 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.08 -38.11 87.58 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.019999999999996 109.297 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 64.420000000000002 110.555 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 52.350000000000001 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.762 HD13 ' HD3' ' A' ' 65' ' ' LYS . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.129999999999995 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.109999999999999 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.239999999999995 112.157 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.120000000000005 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HD3' HD13 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 60.530000000000001 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.0 mm100 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.219999999999999 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.584 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.420000000000002 110.477 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.210000000000001 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 70.430000000000007 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.219999999999999 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 73.299999999999997 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.340000000000003 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG3' ' HE2' ' A' ' 70' ' ' MET . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.010000000000005 110.342 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.02 11.12 50.55 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.340000000000003 114.181 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 8.1 mp -72.64 -50.52 24.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.473 0.637 . . . . 73.150000000000006 112.71 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 67' ' ' GLN . 96.1 m-85 -94.65 85.69 4.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.287 0.565 . . . . 65.150000000000006 111.256 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 116.273 -0.421 . . . . 51.030000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.623 . . . . . . . . 65.319999999999993 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.448 ' CE ' HD11 ' A' ' 61' ' ' LEU . 17.4 tpt -95.5 125.82 40.37 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.917 -0.401 . . . . 73.430000000000007 109.917 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.3 p -123.63 167.39 14.03 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.578 -0.897 . . . . 74.099999999999994 108.578 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.271 4.2 ppt_? -76.32 -14.38 60.1 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 119.995 -0.682 . . . . 74.030000000000001 111.118 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -48.11 55.77 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.698 -1.223 . . . . 53.109999999999999 107.698 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -60.01 -37.92 81.14 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.861 -0.609 . . . . 42.200000000000003 109.47 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.140000000000001 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 60.43 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 64.549999999999997 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD13 ' HD3' ' A' ' 65' ' ' LYS . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 55.32 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.329999999999998 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 70.25 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.150000000000006 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HD3' HD13 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 71.510000000000005 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.109999999999999 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.556 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 19.8 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.209999999999994 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.400000000000006 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.319999999999993 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 63.130000000000003 111.281 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.310000000000002 109.733 170.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 65.010000000000005 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.109999999999999 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.78 4.1 36.67 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.2 mp -76.67 -40.78 47.86 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.906 0.86 . . . . 75.230000000000004 109.427 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 98.9 m-85 -110.34 99.94 8.88 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.088 -1.078 . . . . 74.200000000000003 108.088 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 CA-C-N 116.46 -0.336 . . . . 64.439999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 62.240000000000002 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 43.2 ttm -98.54 116.38 30.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.567 . . . . 71.329999999999998 110.408 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -93.59 178.6 5.64 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.162 -0.926 . . . . 72.230000000000004 108.871 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -65.0 -30.32 71.3 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.585 0.231 . . . . 71.150000000000006 110.615 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -67.4 -45.23 76.8 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.703 -0.851 . . . . 72.400000000000006 108.703 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -60.39 -42.13 95.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 52.509999999999998 109.39 177.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 63.219999999999999 111.496 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.510000000000005 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.409999999999997 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.230000000000004 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.120000000000005 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 62.420000000000002 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 65.519999999999996 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.439999999999998 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.1 mm100 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.329999999999998 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.4 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 62.439999999999998 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 53.130000000000003 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 72.140000000000001 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.129999999999995 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.734 ' HD3' ' HB2' ' A' ' 76' ' ' PHE . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 62.520000000000003 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD3' ' HE2' ' A' ' 70' ' ' MET . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.049999999999997 111.713 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.96 28.76 55.96 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 44.130000000000003 114.521 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -93.21 -40.07 10.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 117.647 0.724 . . . . 73.230000000000004 109.616 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.734 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . 97.0 m-85 -102.51 95.57 6.34 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.244 -1.021 . . . . 73.299999999999997 108.244 174.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-N 116.651 -0.25 . . . . 3.4399999999999999 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 . . . . . . . . 61.210000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.678 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 45.3 ttm -94.87 118.17 31.34 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.338 0.589 . . . . 74.450000000000003 111.407 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 p -95.1 -178.36 4.45 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.338 -0.847 . . . . 65.230000000000004 109.054 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -61.38 -33.53 73.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.267 -1.012 . . . . 73.040000000000006 108.267 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -58.94 -50.28 74.65 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.489 -0.778 . . . . 61.32 109.995 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -64.85 -40.79 95.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.833 -0.621 . . . . 60.549999999999997 110.111 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 71.430000000000007 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 50.43 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.049999999999997 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 65' ' ' LYS . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 64.120000000000005 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.010000000000005 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 71.150000000000006 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.239999999999995 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.319999999999993 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.1 mm100 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 70.340000000000003 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 22.3 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.510000000000005 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.540000000000006 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.450000000000003 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 61.020000000000003 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.519999999999996 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.540000000000006 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.827 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.329999999999998 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.64 11.8 29.94 Favored Glycine 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 53.109999999999999 113.556 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.5 mp -77.05 -57.65 3.72 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 117.394 0.597 . . . . 71.519999999999996 111.085 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 27.6 p90 -156.46 97.8 1.78 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.453 0.644 . . . . 72.120000000000005 110.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.737 0 CA-C-N 116.159 -0.473 . . . . 62.32 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.482 . . . . . . . . 64.329999999999998 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HE1' HD11 ' A' ' 61' ' ' LEU . 24.6 ptm -96.41 140.09 31.58 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 108.82 -0.807 . . . . 72.319999999999993 108.82 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.3 p -74.21 160.78 30.68 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.729 -0.669 . . . . 64.209999999999994 112.617 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 29.9 ttp180 -64.53 -26.44 68.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 73.439999999999998 110.124 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.2 t -64.01 -40.37 96.19 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.923 -0.58 . . . . 54.119999999999997 109.71 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -36.44 70.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 54.350000000000001 108.891 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.040000000000006 111.101 176.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 63.5 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.109999999999999 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD13 ' HD2' ' A' ' 65' ' ' LYS . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 72.519999999999996 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 63.509999999999998 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.430000000000007 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 65.530000000000001 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.72 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.120000000000005 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 12.0 mm100 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.319999999999993 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 21.9 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 70.030000000000001 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 42.509999999999998 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.319999999999993 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 51.200000000000003 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.714 ' HG2' ' HB2' ' A' ' 76' ' ' PHE . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 64.430000000000007 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.129999999999995 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.239999999999995 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.07 16.18 6.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 73.299999999999997 114.878 172.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.4 -64.47 1.14 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 117.561 0.68 . . . . 74.430000000000007 111.775 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . 50.6 m-85 -85.29 113.22 21.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.427 -0.351 . . . . 64.340000000000003 110.211 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 CA-C-N 116.7 -0.227 . . . . 1.1100000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.4 . . . . . . . . 22.140000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 61' ' ' LEU . 49.1 ttm -88.56 96.29 10.57 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.43 0.633 . . . . 64.219999999999999 110.271 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.5 p -88.66 -173.32 4.09 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.772 -1.104 . . . . 75.140000000000001 108.699 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 mtm-85 -73.13 -22.23 60.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.366 -0.605 . . . . 75.349999999999994 109.366 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 m -72.29 -46.29 56.41 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.088 -0.96 . . . . 70.299999999999997 109.386 174.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.61 95.23 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 62.509999999999998 109.186 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.420000000000002 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 53.030000000000001 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 71.120000000000005 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 53' ' ' MET . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 51.399999999999999 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 52.329999999999998 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 61.140000000000001 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 64.549999999999997 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HD3' HD13 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 64.340000000000003 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 11.8 mm100 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.319999999999993 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 20.7 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.319999999999993 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.540000000000006 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.120000000000005 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.572 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.109999999999999 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 73.200000000000003 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.109999999999999 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 72.519999999999996 109.34 -174.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 20.98 10.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.430000000000007 113.928 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -84.6 -55.96 3.85 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 117.219 0.51 . . . . 74.209999999999994 110.278 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 16.7 p90 -150.03 88.96 1.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.706 -0.679 . . . . 71.239999999999995 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 CA-C-N 115.658 -0.701 . . . . 63.439999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.42 108.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 73.2 110.703 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.32 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.13 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.3 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 71.32 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.51 112.373 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.42 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD3' HD13 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.4 mm-40 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 64.34 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.563 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.53 110.242 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 62.21 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 61.0 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.421 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 71.53 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 64.12 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 65.12 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 71.55 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.41 114.01 175.634 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 32.24 110.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 72.4 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.44 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.41 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD13 ' HD3' ' A' ' 65' ' ' LYS . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.1 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.54 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.21 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.24 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.43 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.499 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 15.1 mm-40 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 72.01 108.716 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.52 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 42.34 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.756 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 73.01 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.428 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.24 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.11 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 73.31 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.66 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.31 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 34.42 115.404 173.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 44.42 107.682 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 61.03 110.429 175.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 74.22 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.11 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 65' ' ' LYS . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.34 111.693 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 73.51 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 65.01 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.24 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 61' ' ' LEU . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 60.1 110.875 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.32 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 73.21 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 74.55 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 72.02 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.14 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 50.03 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.53 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.33 114.331 173.637 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 70.12 110.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.4 111.89 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.44 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.43 110.732 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.33 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HG ' HE21 ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 71.51 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.41 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 65.5 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.1 mm-40 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.13 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.627 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.1 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 70.21 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.32 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 54.22 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.408 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 65.15 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.33 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.11 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.13 114.115 176.464 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 52.34 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.24 111.623 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.52 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.45 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 72.21 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.12 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 60.1 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.55 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 51.3 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.561 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 17.5 mm-40 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.23 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 63.44 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.11 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 54.12 111.709 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.35 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 71.41 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 71.31 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.13 113.462 176.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 61.24 109.652 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.674 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 60.34 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.05 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.13 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.52 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' HG ' HE21 ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 64.21 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.32 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.04 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.4 mm-40 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 53.53 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.496 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.33 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 43.41 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.24 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.562 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.15 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.12 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.03 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.41 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 63.22 114.448 176.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.041 0.448 . . . . 73.11 110.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.44 112.379 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.41 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.508 HD13 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.42 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 70.23 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.454 ' HG ' HE21 ' A' ' 67' ' ' GLN . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 62.3 112.387 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.21 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HD3' HD13 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.03 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.454 HE21 ' HG ' ' A' ' 63' ' ' LEU . 58.6 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 64.51 110.514 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.21 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 72.21 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 71.35 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 64.35 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.11 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 60.3 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 70.32 114.226 175.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 120.831 0.348 . . . . 44.51 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.34 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.01 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 72.14 111.591 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 63.34 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HG ' HE21 ' A' ' 67' ' ' GLN . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 63.51 112.346 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.51 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.43 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.578 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 70.0 109.906 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 52.21 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 72.02 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.23 112.135 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.51 109.113 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.13 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 41.32 113.04 179.491 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.11 110.199 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 64.53 111.517 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.05 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 70.44 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 65' ' ' LYS . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.2 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.14 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HG ' HE21 ' A' ' 67' ' ' GLN . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 61.53 112.051 -175.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.51 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' HD13 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 70.43 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 50.04 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 63' ' ' LEU . 73.7 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.11 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 64.54 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.32 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.41 111.305 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 73.24 110.227 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.33 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 64.41 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 50.4 113.959 177.516 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.965 -0.754 . . . . 72.55 108.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.32 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 52.25 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.21 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 65' ' ' LYS . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 70.12 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.43 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.766 ' HG ' HE21 ' A' ' 67' ' ' GLN . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 52.42 112.323 -175.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 63.53 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HD2' HD13 ' A' ' 61' ' ' LEU . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 65.32 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.0 mm-40 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 61.42 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.766 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 63.52 109.267 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.11 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.23 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 73.2 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 42.52 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.02 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 54.33 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 62.24 115.664 172.337 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.11 108.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 64.4 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 63.41 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.54 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.42 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.604 ' HG ' HE21 ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 43.3 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.35 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.41 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 16.1 mm-40 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.23 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.604 HE21 ' HG ' ' A' ' 63' ' ' LEU . 66.1 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 63.33 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 64.12 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.22 111.964 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.24 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.3 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 34.14 115.295 175.083 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.22 109.082 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.04 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 74.41 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 54.45 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.12 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 71.44 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 63.3 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 55.03 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.5 mm-40 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.31 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 54.4 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 61.21 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.02 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.12 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 72.42 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.31 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 71.51 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.32 113.621 178.109 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 74.14 109.224 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.32 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 63.22 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.05 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' A' ' 65' ' ' LYS . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 72.11 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.33 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.682 ' HG ' HE21 ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.24 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 71.55 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 65.12 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.5 mm-40 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 54.13 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.682 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.7 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 61.43 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.53 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.12 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.418 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.42 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.23 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 50.13 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 51.03 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 64.43 113.927 176.73 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 110.184 -0.302 . . . . 73.41 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.24 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.34 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.13 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.12 111.53 176.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.22 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' HG ' HE21 ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.34 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.44 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.0 mm-40 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.499 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.12 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 23.21 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 73.31 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 51.4 111.189 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 65.1 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.31 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.12 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.24 114.358 176.679 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.02 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 64.42 110.555 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 52.35 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.762 HD13 ' HD3' ' A' ' 65' ' ' LYS . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.13 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.11 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.24 112.157 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.12 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HD3' HD13 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 60.53 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.22 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.42 110.477 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.21 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.22 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 73.3 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.34 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG3' ' HE2' ' A' ' 70' ' ' MET . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.01 110.342 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.34 114.181 177.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--O 1.212 -0.917 0 N-CA-C 109.47 -0.567 . . . . 42.2 109.47 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.14 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 60.43 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 64.55 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD13 ' HD3' ' A' ' 65' ' ' LYS . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 55.32 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.33 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.716 ' HG ' HE21 ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 70.25 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.15 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HD3' HD13 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 71.51 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 14.2 mm-40 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.11 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.716 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.9 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.21 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.4 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.32 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 63.13 111.281 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.31 109.733 170.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 65.01 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.11 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 52.51 109.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 63.22 111.496 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.51 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.41 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.23 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.12 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 62.42 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 65.52 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.7 mm-40 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.33 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.565 HE21 ' HG ' ' A' ' 63' ' ' LEU . 68.7 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 62.44 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 53.13 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 72.14 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.435 ' HE2' ' HD3' ' A' ' 73' ' ' LYS . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.13 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 67' ' ' GLN . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 62.52 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD3' ' HE2' ' A' ' 70' ' ' MET . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.05 111.713 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 44.13 114.521 174.493 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 110.111 -0.329 . . . . 60.55 110.111 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 71.43 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 50.43 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.05 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 65' ' ' LYS . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 64.12 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.01 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.676 ' HG ' HE21 ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 71.15 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.24 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.32 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 70.34 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.676 HE21 ' HG ' ' A' ' 63' ' ' LEU . 70.7 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.51 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.54 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.482 ' HE2' ' HG3' ' A' ' 73' ' ' LYS . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 61.02 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.52 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.54 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.33 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 53.11 113.556 177.308 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 54.35 108.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.04 111.101 176.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 63.5 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.11 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.72 HD13 ' HD2' ' A' ' 65' ' ' LYS . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 72.52 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 63.51 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.43 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 65.53 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.72 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.12 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.6 mm-40 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.32 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.55 HE21 ' HG ' ' A' ' 63' ' ' LEU . 72.2 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 70.03 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 42.51 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.32 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 51.2 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 64.43 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.13 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.24 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 73.3 114.878 172.493 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 62.51 109.186 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.42 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 53.03 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 71.12 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 65' ' ' LYS . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 51.4 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 52.33 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.639 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 61.14 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 64.55 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HD3' HD13 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 64.34 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.5 mm-40 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.32 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.639 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.8 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.32 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.54 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.12 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' A' ' 70' ' ' MET . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.11 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 73.2 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.11 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 72.52 109.34 -174.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.43 113.928 176.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 74.2 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.488 ' HE1' HD11 ' A' ' 61' ' ' LEU . 27.1 ttt -119.48 116.16 25.54 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 121.267 0.555 . . . . 74.22 110.449 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.8 p -85.71 163.37 18.28 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 115.567 -0.742 . . . . 71.03 111.53 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.343 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.8 m -73.29 -36.43 66.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.514 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.46 93.16 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.968 -0.753 . . . . 74.42 108.968 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.0 -41.13 95.67 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 114.52 -1.218 . . . . 73.2 110.703 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.89 -12.26 53.21 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.07 0.396 . . . . 60.32 112.07 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -97.83 -6.58 32.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 120.784 0.326 . . . . 71.13 111.217 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 65' ' ' LYS . 51.9 mt -79.46 152.46 75.7 Favored Pre-proline 0 C--O 1.247 0.939 0 N-CA-C 111.683 0.253 . . . . 72.3 111.683 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 9.8 Cg_endo -58.77 161.52 15.0 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.244 2.629 . . . . 71.32 111.925 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.8 tp -57.72 -42.39 83.69 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 112.373 0.509 . . . . 74.51 112.373 -175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -61.24 -32.87 72.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.988 0.423 . . . . 73.42 110.208 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HD3' HD13 ' A' ' 61' ' ' LEU . 34.0 mttt -72.05 -32.9 67.53 Favored 'General case' 0 CA--C 1.485 -1.554 0 CA-C-N 116.01 -0.541 . . . . 74.32 110.993 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.4 mm-40 -65.28 -39.64 92.84 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.818 -0.808 . . . . 64.34 108.818 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.563 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.7 mt-30 -73.07 -50.15 24.57 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.44 -0.8 . . . . 74.53 110.242 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.98 93.62 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.675 -0.693 . . . . 62.21 112.097 -175.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.01 -41.5 35.61 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.099 0.475 . . . . 61.0 111.104 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.577 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.2 mmt -69.99 -22.23 63.15 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.102 -0.639 . . . . 71.53 111.229 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -60.31 -33.81 72.9 Favored 'General case' 0 C--O 1.215 -0.754 0 C-N-CA 123.034 0.534 . . . . 64.12 109.939 174.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.87 -37.8 88.73 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.181 0.515 . . . . 65.12 110.884 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.03 -23.85 30.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.705 0.764 . . . . 71.55 109.683 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.45 34.81 3.76 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.849 -0.691 . . . . 73.41 114.01 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -87.69 -32.68 19.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.281 0.562 . . . . 71.3 110.034 175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.88 86.59 2.53 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.513 -0.767 . . . . 62.44 109.474 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.745 0 CA-C-N 116.298 -0.41 . . . . 31.54 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 . . . . . . . . 43.13 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.583 ' SD ' HD11 ' A' ' 61' ' ' LEU . 43.8 ttm -72.94 119.61 17.42 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.894 0.378 . . . . 65.43 110.429 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.6 p -78.59 179.36 7.15 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.422 -0.808 . . . . 74.52 110.201 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -73.67 -34.38 64.88 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.476 -1.305 . . . . 72.1 107.476 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 m -67.03 -42.44 84.87 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.602 -1.181 . . . . 42.34 110.578 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -63.8 -35.86 82.01 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.652 0.263 . . . . 32.24 110.312 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.82 -44.66 92.57 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.368 -0.833 . . . . 72.4 110.673 177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.35 -23.75 67.55 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.311 0.486 . . . . 71.44 112.311 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -91.96 -10.04 40.83 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.865 0.32 . . . . 74.41 111.865 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.583 HD11 ' SD ' ' A' ' 53' ' ' MET . 83.0 mt -63.88 155.95 75.34 Favored Pre-proline 0 C--O 1.253 1.244 0 N-CA-C 113.087 0.773 . . . . 73.1 113.087 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.05 162.49 22.54 Favored 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 123.331 2.687 . . . . 53.54 111.366 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 35.3 tp -58.35 -48.42 80.63 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 123.556 0.535 . . . . 74.21 111.438 -174.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -57.14 -32.77 66.71 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.988 0.423 . . . . 72.24 110.975 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 61' ' ' LEU . 11.6 mttp -72.01 -29.7 64.48 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 116.432 -0.349 . . . . 73.43 111.506 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.499 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 15.1 mm-40 -68.82 -39.47 80.01 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.716 -0.846 . . . . 72.01 108.716 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 37.5 mt-30 -72.35 -46.41 55.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.287 -1.324 . . . . 73.52 109.442 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.9 -29.39 69.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.626 -0.715 . . . . 42.34 112.02 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.756 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 67.2 mt -86.83 -45.84 10.51 Favored 'General case' 0 C--O 1.201 -1.486 0 C-N-CA 120.424 -0.51 . . . . 73.01 111.024 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.728 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.4 mmt -67.99 -16.74 64.18 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 119.934 -0.706 . . . . 74.24 111.0 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 48.2 tttp -54.31 -44.2 71.81 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 124.263 1.025 . . . . 74.11 110.839 171.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.756 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 11.7 pt-20 -69.62 -23.92 63.58 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.217 0.532 . . . . 73.31 110.98 -175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.66 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 62.5 mttp -103.35 12.87 34.86 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.774 -0.648 . . . . 74.31 111.873 -175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.65 24.84 71.44 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.404 0.922 . . . . 34.42 115.404 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.728 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -90.17 -35.23 15.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 118.081 0.941 . . . . 73.14 108.906 174.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 88.4 m-85 -115.27 94.7 4.84 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.755 -1.111 . . . . 74.14 108.75 175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.716 0 CA-C-N 116.12 -0.491 . . . . 63.21 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.419 . . . . . . . . 71.44 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 47.2 ttm -151.97 113.6 4.37 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.278 0.561 . . . . 72.14 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 p -95.03 -178.74 4.58 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 108.775 -0.824 . . . . 74.43 108.775 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.616 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 2.9 mpt_? -75.68 -12.28 60.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.037 0.446 . . . . 63.41 111.778 -177.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 p -81.84 -42.92 18.95 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.035 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.18 82.67 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.682 -1.229 . . . . 44.42 107.682 173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.616 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 22.6 t80 -61.69 -43.39 98.95 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 113.587 -1.642 . . . . 61.03 110.429 175.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -12.35 60.85 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 120.87 0.366 . . . . 74.22 111.894 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -94.22 -11.65 29.85 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.37 -0.377 . . . . 74.11 110.695 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' HD3' ' A' ' 65' ' ' LYS . 53.6 mt -75.17 154.76 86.38 Favored Pre-proline 0 C--O 1.243 0.755 0 CA-C-N 116.559 -0.291 . . . . 73.34 111.693 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.4 Cg_endo -61.24 162.99 18.28 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 123.14 2.56 . . . . 73.51 112.135 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 28.3 tp -59.24 -43.1 92.42 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 123.288 0.635 . . . . 65.01 112.377 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -60.42 -33.06 71.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.881 0.372 . . . . 74.24 110.458 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' HD3' HD13 ' A' ' 61' ' ' LEU . 8.2 mttp -71.66 -31.68 67.07 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 116.169 -0.469 . . . . 60.1 110.875 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -63.85 -42.63 97.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.702 -0.851 . . . . 74.5 108.702 178.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.565 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 60.2 mt-30 -70.38 -42.3 71.91 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.0 -1.0 . . . . 70.32 110.099 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.45 91.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.69 -0.686 . . . . 73.21 111.508 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.87 -44.61 15.22 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.884 -0.598 . . . . 74.55 111.868 -176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.519 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.8 mmt -64.83 -25.24 67.82 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.504 -0.479 . . . . 72.02 111.833 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -57.37 -37.17 72.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.049 0.539 . . . . 75.14 111.01 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -76.25 -38.31 56.48 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.202 -0.453 . . . . 50.03 111.094 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -74.59 -23.61 58.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.832 -0.622 . . . . 70.53 110.279 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.5 32.15 3.5 Favored Glycine 0 N--CA 1.441 -0.972 0 C-N-CA 120.721 -0.752 . . . . 74.33 114.331 173.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.1 mp -96.89 -59.9 1.7 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.322 0.582 . . . . 70.41 110.651 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 15.0 p90 -151.68 95.01 2.06 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.371 -0.831 . . . . 75.51 110.361 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.733 0 CA-C-N 115.666 -0.697 . . . . 31.11 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.626 . . . . . . . . 30.34 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 61' ' ' LEU . 40.1 ttm -86.56 108.37 18.54 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-O 121.454 0.645 . . . . 72.2 111.156 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.0 p -92.61 -178.98 5.04 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-N 114.879 -1.055 . . . . 71.22 108.871 176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -61.69 -34.63 76.1 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.448 -0.575 . . . . 73.33 109.448 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.8 t -61.24 -53.27 58.92 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.921 -0.582 . . . . 51.11 110.132 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.24 90.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.377 0.608 . . . . 70.12 110.088 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -61.37 -44.36 97.3 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.747 -1.115 . . . . 64.4 111.89 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.07 -25.66 68.21 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 120.789 0.328 . . . . 62.44 111.738 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -82.39 -11.53 58.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.25 -0.432 . . . . 74.13 111.431 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD11 ' CE ' ' A' ' 53' ' ' MET . 48.7 mt -74.18 151.45 88.04 Favored Pre-proline 0 C--O 1.253 1.253 0 C-N-CA 120.908 -0.317 . . . . 73.43 110.732 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 10.1 Cg_endo -61.92 161.06 26.97 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.869 2.379 . . . . 74.33 112.052 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.627 ' HG ' HE21 ' A' ' 67' ' ' GLN . 45.2 tp -55.56 -44.46 76.83 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.011 0.924 . . . . 71.51 112.33 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 54.1 p-90 -59.6 -34.21 72.46 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-O 121.189 0.519 . . . . 74.41 110.149 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 6.0 mmtt -74.44 -27.37 60.58 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 115.869 -0.605 . . . . 65.5 111.241 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.1 mm-40 -68.75 -42.03 78.1 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.923 -1.14 . . . . 74.13 107.923 176.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.627 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.1 mt-30 -68.43 -44.21 75.44 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.352 -0.84 . . . . 70.21 109.453 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.71 76.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.09 -0.959 . . . . 74.32 111.903 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -87.24 -49.41 7.29 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.792 0.329 . . . . 54.22 111.639 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.582 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 9.7 mmt -65.74 -22.52 66.61 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 112.873 0.694 . . . . 65.15 112.873 -178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -64.09 -28.37 69.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 119.375 -0.93 . . . . 75.33 110.12 174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -76.8 -16.92 59.32 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.515 0.674 . . . . 74.11 110.024 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -99.68 -5.72 28.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.823 -0.626 . . . . 64.5 111.406 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.46 -7.07 55.88 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.465 -0.874 . . . . 74.13 114.115 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -65.72 -39.38 91.1 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.52 0.66 . . . . 61.41 111.206 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 67' ' ' GLN . 92.3 m-85 -107.82 96.96 6.75 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 115.722 -0.672 . . . . 73.3 109.514 177.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.661 0 O-C-N 122.287 -0.258 . . . . 44.34 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 74.12 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.475 ' CE ' HD11 ' A' ' 61' ' ' LEU . 44.8 ttm -136.79 133.3 35.81 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.22 0.533 . . . . 64.13 111.34 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -108.02 171.74 7.23 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 107.132 -1.433 . . . . 44.23 107.132 173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -62.08 -31.06 71.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.829 -0.804 . . . . 53.13 108.829 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 m -62.1 -51.77 66.58 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.46 -0.791 . . . . 41.51 110.156 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.77 84.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.258 0.551 . . . . 52.34 110.569 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -63.01 -42.52 99.85 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 114.991 -1.004 . . . . 74.24 111.623 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.02 64.96 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.391 0.615 . . . . 72.52 111.492 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -92.47 -4.65 53.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.817 -0.628 . . . . 71.45 111.815 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 69.4 mt -74.7 155.26 87.2 Favored Pre-proline 0 C--N 1.319 -0.757 0 C-N-CA 121.152 -0.219 . . . . 72.21 110.864 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.6 Cg_endo -64.71 159.03 47.25 Favored 'Trans proline' 0 C--O 1.241 0.656 0 C-N-CA 122.495 2.13 . . . . 75.12 111.03 175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.5 tp -55.11 -41.53 71.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.495 0.718 . . . . 60.1 112.395 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -61.14 -36.54 80.05 Favored 'General case' 0 C--O 1.209 -1.077 0 C-N-CA 120.65 -0.42 . . . . 74.55 110.317 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -69.33 -33.23 72.81 Favored 'General case' 0 C--O 1.202 -1.421 0 CA-C-O 120.893 0.378 . . . . 51.3 111.2 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.561 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 17.5 mm-40 -64.35 -42.4 96.26 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.383 0.611 . . . . 74.23 109.449 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 43.6 mt-30 -77.27 -43.01 34.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.936 -1.029 . . . . 63.44 109.928 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.75 94.35 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.754 -0.657 . . . . 64.11 111.532 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -80.03 -46.17 17.07 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.353 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.427 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 7.6 mmt -67.48 -28.09 67.56 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.424 -0.51 . . . . 54.12 111.709 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.82 -32.08 70.31 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 119.95 -0.7 . . . . 75.35 109.592 177.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -67.05 -31.07 71.34 Favored 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.338 0.399 . . . . 71.41 111.152 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.61 -20.25 43.64 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 121.202 0.525 . . . . 71.31 110.081 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.92 13.02 21.08 Favored Glycine 0 N--CA 1.438 -1.191 0 C-N-CA 120.098 -1.049 . . . . 71.13 113.462 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.74 -56.49 4.92 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 120.275 -0.57 . . . . 74.05 109.689 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 83.0 m-85 -85.72 -88.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.705 -0.68 . . . . 75.34 109.797 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 121.976 -0.452 . . . . 22.44 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 . . . . . . . . 51.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.1 tpt -149.43 131.55 15.38 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.051 -0.722 . . . . 74.21 109.051 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.2 p -118.24 170.2 9.08 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 109.442 -0.577 . . . . 74.41 109.442 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -75.7 -31.28 59.61 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 108.009 -1.108 . . . . 60.25 108.009 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.5 m -63.32 -43.56 97.42 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.259 -0.882 . . . . 43.21 109.719 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.53 -40.5 94.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.652 -0.499 . . . . 61.24 109.652 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -59.24 -44.5 92.34 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.674 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -10.23 51.57 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.614 0.598 . . . . 60.34 112.614 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -105.12 -2.56 24.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.46 -0.336 . . . . 71.05 110.732 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 66.7 mt -77.24 151.91 81.46 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.57 -0.286 . . . . 74.13 111.625 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.7 Cg_endo -60.25 161.84 18.74 Favored 'Trans proline' 0 C--O 1.241 0.643 0 C-N-CA 123.317 2.678 . . . . 73.52 112.31 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' HG ' HE21 ' A' ' 67' ' ' GLN . 36.7 tp -58.34 -42.78 87.62 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 123.081 0.553 . . . . 64.21 111.784 -174.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -61.06 -34.46 74.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.919 0.39 . . . . 73.32 110.537 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -72.09 -32.3 66.88 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 116.21 -0.45 . . . . 74.04 111.308 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.4 mm-40 -64.94 -42.74 94.4 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.759 -0.83 . . . . 53.53 108.759 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.528 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 64.7 mt-30 -72.24 -42.27 65.87 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 115.319 -0.855 . . . . 72.33 110.261 -176.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.74 85.36 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.606 -0.725 . . . . 43.41 111.42 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.1 mt -82.64 -44.16 16.08 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 120.888 0.375 . . . . 75.24 111.417 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.562 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 16.1 mmt -66.85 -21.79 66.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.923 0.392 . . . . 75.15 111.531 176.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.76 -40.29 69.2 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 123.061 0.544 . . . . 75.12 110.36 171.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.34 -5.02 50.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 72.03 111.518 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 9.4 mmpt? -106.33 -0.66 24.13 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.246 -0.433 . . . . 70.41 110.543 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.21 5.04 64.11 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.62 -0.8 . . . . 63.22 114.448 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.2 mp -77.84 -36.5 49.95 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 118.012 0.906 . . . . 75.22 110.566 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 97.5 m-85 -115.99 93.84 4.42 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 115.237 -0.892 . . . . 73.13 108.955 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.709 0 CA-C-N 116.628 -0.26 . . . . 71.43 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 . . . . . . . . 72.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.436 ' CE ' HD11 ' A' ' 61' ' ' LEU . 40.5 tpp -111.43 105.92 14.68 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.203 0.525 . . . . 71.42 110.936 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.8 p -116.12 -177.14 3.1 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.008 -1.108 . . . . 73.31 108.008 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 42.0 ttm180 -65.12 -31.89 73.31 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.492 -0.559 . . . . 74.51 109.492 173.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.0 m -58.56 -54.22 49.47 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.954 -0.566 . . . . 61.4 109.737 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.58 91.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.886 -0.597 . . . . 73.11 110.243 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 48.2 t80 -54.62 -44.59 73.25 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.582 1.153 . . . . 75.44 112.379 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -23.1 67.2 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 120.987 0.422 . . . . 74.41 111.696 -177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -89.62 -12.4 39.8 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.415 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.508 HD13 ' HD3' ' A' ' 65' ' ' LYS . 65.8 mt -71.15 155.07 93.62 Favored Pre-proline 0 C--O 1.246 0.89 0 N-CA-C 112.482 0.549 . . . . 74.42 112.482 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.7 Cg_endo -62.57 162.22 25.26 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.216 2.611 . . . . 70.23 111.701 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.454 ' HG ' HE21 ' A' ' 67' ' ' GLN . 38.3 tp -59.19 -44.02 92.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.387 0.514 . . . . 62.3 112.387 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -59.76 -33.78 72.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.5 -0.318 . . . . 75.21 110.525 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' HD3' HD13 ' A' ' 61' ' ' LEU . 12.1 mttp -70.27 -33.14 71.24 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.818 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.48 -44.53 94.13 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.921 -0.77 . . . . 74.03 108.921 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.454 HE21 ' HG ' ' A' ' 63' ' ' LEU . 58.6 mt-30 -72.0 -37.05 69.9 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.965 -1.016 . . . . 64.51 110.514 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.34 80.78 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.926 -0.579 . . . . 73.21 111.132 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 mt -80.24 -45.44 17.96 Favored 'General case' 0 CA--C 1.495 -1.153 0 CA-C-N 116.025 -0.534 . . . . 72.21 111.131 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.546 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 7.0 mmt -64.25 -25.61 68.13 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 120.311 -0.556 . . . . 71.35 111.101 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 71' ' ' LYS . 4.5 ttmp? -63.51 -40.4 96.95 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.752 -0.204 . . . . 64.35 110.507 174.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -61.83 -43.59 98.55 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.527 0.68 . . . . 73.11 110.037 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.55 -19.47 60.89 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.358 -0.837 . . . . 60.3 111.045 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.31 18.56 13.04 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.837 -0.696 . . . . 70.32 114.226 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.8 mp -84.85 -35.34 22.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.352 0.596 . . . . 75.52 110.168 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -107.86 105.54 15.4 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.461 -0.79 . . . . 63.51 109.325 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 116.588 -0.278 . . . . 15.04 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.406 . . . . . . . . 73.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.462 ' CE ' HD11 ' A' ' 61' ' ' LEU . 26.9 ptm -134.04 154.27 51.26 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.244 -0.65 . . . . 45.54 109.244 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.4 p -90.56 171.85 9.11 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.878 -0.416 . . . . 71.21 109.878 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -78.81 -22.43 46.26 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.945 -1.131 . . . . 73.24 107.945 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 m -63.46 -47.18 82.87 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.053 -0.976 . . . . 74.34 108.545 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.33 89.13 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.491 -0.777 . . . . 44.51 110.27 176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -56.99 -42.82 80.94 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 115.253 -0.885 . . . . 75.34 111.427 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.4 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.142 0.496 . . . . 64.01 111.398 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -93.9 -3.72 51.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.048 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 63.3 mt -82.58 154.6 68.6 Favored Pre-proline 0 C--O 1.251 1.179 0 CA-C-N 116.662 -0.244 . . . . 72.14 111.591 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.92 158.66 37.28 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 123.328 2.685 . . . . 63.34 112.619 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HG ' HE21 ' A' ' 67' ' ' GLN . 52.6 tp -51.54 -46.52 63.39 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.479 1.112 . . . . 63.51 112.346 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -60.34 -33.93 73.12 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.688 0.28 . . . . 74.5 110.741 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -71.71 -32.2 67.54 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 116.238 -0.437 . . . . 75.51 111.05 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.7 mm-40 -66.36 -39.97 89.47 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.937 -0.764 . . . . 64.43 108.937 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.578 HE21 ' HG ' ' A' ' 63' ' ' LEU . 69.3 mt-30 -73.05 -46.96 48.77 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.348 -0.842 . . . . 70.0 109.906 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.0 92.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.082 -0.963 . . . . 52.21 111.703 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.29 -43.91 22.71 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 115.654 -0.703 . . . . 72.02 111.617 -174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.511 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 11.9 mmt -68.21 -27.77 66.67 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.417 -0.513 . . . . 50.23 112.135 177.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 88.1 tttt -62.72 -42.2 99.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.113 -0.699 . . . . 73.51 109.113 174.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -66.95 -22.23 65.94 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.471 -0.786 . . . . 62.13 111.556 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -88.85 -14.41 36.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.212 0.449 . . . . 75.34 112.212 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.57 25.23 12.27 Favored Glycine 0 C--N 1.305 -1.157 0 C-N-CA 119.748 -1.215 . . . . 41.32 113.04 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.9 mp -92.64 -55.75 3.27 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.425 -0.456 . . . . 71.34 110.047 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 98.4 m-85 -87.19 83.16 7.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.329 0.585 . . . . 75.32 109.75 177.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -1.985 0 O-C-N 122.072 -0.392 . . . . 42.11 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 . . . . . . . . 53.22 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.03 119.51 33.66 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 107.403 -1.332 . . . . 62.15 107.403 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.593 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 41.4 p -121.66 -176.77 3.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.999 -0.546 . . . . 72.22 109.983 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -28.87 62.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.191 -1.04 . . . . 54.14 108.191 176.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -68.27 -44.46 75.51 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 115.223 -0.899 . . . . 64.04 109.006 173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HB3' ' H ' ' A' ' 54' ' ' THR . . . -63.99 -35.84 82.01 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 120.86 0.362 . . . . 74.11 110.199 177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -58.26 -40.34 81.55 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.427 0.691 . . . . 64.53 111.517 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.03 -11.25 60.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.305 0.574 . . . . 72.05 110.795 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -100.2 1.54 42.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.644 -0.707 . . . . 70.44 110.26 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' ' 65' ' ' LYS . 69.7 mt -89.26 150.32 44.63 Favored Pre-proline 0 C--N 1.32 -0.677 0 C-N-CA 120.949 -0.3 . . . . 70.2 111.15 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.2 Cg_endo -61.11 164.41 14.58 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.54 2.827 . . . . 75.14 112.644 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HG ' HE21 ' A' ' 67' ' ' GLN . 42.3 tp -59.24 -44.43 92.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.721 0.408 . . . . 61.53 112.051 -175.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -60.34 -32.74 71.55 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.479 -0.328 . . . . 74.51 110.53 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.492 ' HD3' HD13 ' A' ' 61' ' ' LEU . 23.8 mttt -71.56 -34.32 69.88 Favored 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 116.294 -0.412 . . . . 70.43 111.166 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.7 mm-40 -63.86 -43.09 97.14 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.343 -0.984 . . . . 50.04 108.343 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.519 HE21 ' HG ' ' A' ' 63' ' ' LEU . 73.7 mt-30 -69.36 -46.0 68.01 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.11 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.87 95.34 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 115.355 -0.839 . . . . 64.54 111.737 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -81.1 -45.57 16.26 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.629 -0.714 . . . . 72.32 111.686 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.605 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 13.4 mmt -66.79 -22.07 66.03 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.671 -0.412 . . . . 74.41 111.305 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -58.06 -40.21 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.744 0.307 . . . . 73.24 110.227 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.45 -3.38 58.84 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.461 0.648 . . . . 63.33 111.697 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -95.79 -23.65 16.84 Favored 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 108.903 -0.777 . . . . 64.41 108.903 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.69 -0.65 17.96 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.882 -0.675 . . . . 50.4 113.959 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -80.97 -53.45 6.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 117.514 0.657 . . . . 74.35 112.349 -176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 90.7 m-85 -92.99 103.23 15.56 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.104 0.478 . . . . 70.25 110.33 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 116.475 -0.329 . . . . 71.21 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.781 . . . . . . . . 73.55 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.552 ' HE2' HD11 ' A' ' 61' ' ' LEU . 22.7 ptm -148.54 152.2 36.43 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.747 -0.464 . . . . 62.44 109.747 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.7 p -88.37 173.15 8.9 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 110.07 -0.344 . . . . 55.5 110.07 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -18.18 63.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.501 0.667 . . . . 75.51 109.324 175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -71.53 -42.58 67.76 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 115.541 -0.754 . . . . 71.22 109.949 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.73 77.9 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.965 -0.754 . . . . 72.55 108.965 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.43 -41.75 81.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.73 -1.123 . . . . 73.32 111.627 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.24 -9.83 44.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.041 0.448 . . . . 52.25 112.113 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -100.34 -4.53 28.97 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 116.336 -0.393 . . . . 75.21 111.122 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD11 ' HE2' ' A' ' 53' ' ' MET . 42.1 mt -83.69 154.76 65.29 Favored Pre-proline 0 C--N 1.314 -0.96 0 N-CA-C 112.612 0.597 . . . . 70.12 112.612 -176.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 12.0 Cg_endo -62.73 164.63 18.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 123.534 2.823 . . . . 65.43 112.374 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.766 ' HG ' HE21 ' A' ' 67' ' ' GLN . 60.0 tp -55.73 -47.01 77.64 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.409 0.684 . . . . 52.42 112.323 -175.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.3 p-90 -58.3 -33.84 69.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.779 0.324 . . . . 63.53 110.865 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.544 ' HD2' HD13 ' A' ' 61' ' ' LEU . 6.3 mmtt -74.44 -28.72 61.18 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.142 -0.481 . . . . 65.32 111.16 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.0 mm-40 -67.52 -43.06 81.72 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.055 -1.091 . . . . 61.42 108.055 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.766 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.4 mt-30 -67.14 -48.49 67.87 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.894 -1.048 . . . . 63.52 109.267 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.18 90.13 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.072 -0.967 . . . . 75.11 111.817 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.4 mt -80.4 -43.07 21.64 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 116.185 -0.462 . . . . 74.23 111.728 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 7.4 mmt -65.85 -27.37 68.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.808 -0.757 . . . . 73.2 110.61 176.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 36.7 ttpt -61.17 -50.98 70.96 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.023 0.529 . . . . 42.52 110.547 174.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.56 -11.77 60.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.048 0.451 . . . . 73.02 111.97 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -100.85 5.98 43.59 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.785 0.661 . . . . 54.33 112.785 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.44 11.76 62.08 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 115.664 1.026 . . . . 62.24 115.664 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.4 mp -90.31 -42.89 10.71 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 118.045 0.922 . . . . 50.43 110.954 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -97.91 -95.04 0.22 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.406 -0.361 . . . . 72.21 110.388 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.241 0 O-C-N 122.124 -0.36 . . . . 72.43 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 71.34 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.2 ttm -140.52 114.7 9.17 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.17 0.509 . . . . 60.23 111.26 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -101.57 -179.22 3.96 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 106.936 -1.505 . . . . 71.42 106.936 171.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -68.93 -19.4 64.19 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.441 0.639 . . . . 71.4 110.875 174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.5 m -78.09 -39.15 42.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.781 -0.822 . . . . 72.34 108.781 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.81 85.19 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 108.478 -0.934 . . . . 75.11 108.478 174.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 32.5 t80 -56.55 -41.11 76.27 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 114.554 -1.203 . . . . 64.4 110.617 174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.23 -17.99 65.05 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.194 0.521 . . . . 63.41 111.298 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -95.73 -4.47 44.04 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.986 -0.552 . . . . 74.54 111.276 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 83.0 mt -72.69 155.17 91.1 Favored Pre-proline 0 C--O 1.247 0.944 0 CA-C-N 116.704 -0.225 . . . . 75.5 110.544 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 11.8 Cg_endo -60.14 156.64 38.64 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 122.894 2.396 . . . . 74.42 112.037 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.604 ' HG ' HE21 ' A' ' 67' ' ' GLN . 39.5 tp -53.12 -45.47 68.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.2 1.0 . . . . 43.3 112.399 -176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.7 p-90 -59.88 -34.67 73.46 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.451 0.644 . . . . 74.35 110.229 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.553 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -73.98 -29.63 62.08 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-N 115.394 -0.821 . . . . 74.41 110.988 -176.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 16.1 mm-40 -66.38 -44.35 83.37 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.913 -0.773 . . . . 72.23 108.913 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.604 HE21 ' HG ' ' A' ' 63' ' ' LEU . 66.1 mt-30 -68.87 -44.39 73.38 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.037 -0.983 . . . . 63.33 110.195 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.54 90.14 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.565 -0.743 . . . . 54.32 111.684 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -79.66 -45.07 19.71 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-O 121.084 0.469 . . . . 64.12 111.153 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.764 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 10.5 mmt -69.1 -22.96 63.95 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 120.162 -0.615 . . . . 73.22 111.964 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.36 -35.93 82.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.744 -0.465 . . . . 71.24 109.744 174.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.0 -29.83 69.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.277 0.561 . . . . 74.3 110.014 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -97.46 4.51 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.533 -0.758 . . . . 72.44 111.058 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.52 23.22 68.17 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 115.295 0.878 . . . . 34.14 115.295 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.764 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.0 mp -85.37 -44.72 12.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.204 1.002 . . . . 72.23 110.518 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 70' ' ' MET . 65.8 m-85 -92.95 93.59 8.45 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.184 -0.673 . . . . 72.03 109.184 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-N 116.266 -0.425 . . . . 14.1 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.616 . . . . . . . . 43.45 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.44 ' CE ' HD11 ' A' ' 61' ' ' LEU . 48.1 ttm -149.05 117.38 6.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.19 0.519 . . . . 75.3 111.664 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 p -94.58 -173.79 3.13 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.933 -0.766 . . . . 73.34 108.933 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -72.21 -28.18 63.01 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.558 -0.904 . . . . 62.54 108.558 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.5 m -74.4 -42.38 59.35 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.132 -0.94 . . . . 63.31 110.172 178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.65 91.95 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 109.082 -0.71 . . . . 72.22 109.082 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.677 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 39.3 t80 -60.81 -43.44 98.17 Favored 'General case' 0 C--O 1.202 -1.437 0 CA-C-N 114.744 -1.116 . . . . 74.04 110.943 176.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.62 -14.79 55.07 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -91.95 -14.54 29.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.764 0.316 . . . . 74.41 111.301 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 53.3 mt -68.7 155.87 92.16 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-N 116.394 -0.366 . . . . 54.45 111.373 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.567 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 19.8 Cg_endo -63.52 159.5 40.23 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.879 2.386 . . . . 74.12 111.976 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.47 -41.38 72.88 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.232 0.613 . . . . 71.44 112.311 -176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -60.66 -35.98 77.57 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.573 -0.451 . . . . 63.3 110.268 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.59 -33.02 68.67 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-O 121.084 0.469 . . . . 55.03 110.901 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.5 mm-40 -64.4 -39.63 94.22 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.747 -0.66 . . . . 65.31 109.637 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -77.96 -45.4 24.01 Favored 'General case' 0 C--O 1.198 -1.628 0 CA-C-N 115.073 -0.967 . . . . 54.4 109.933 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 71' ' ' LYS . . . -66.56 -26.93 67.36 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 123.738 0.648 . . . . 61.21 112.579 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HB2' ' HE2' ' A' ' 58' ' ' PHE . 91.0 mt -88.34 -43.41 11.54 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.928 0.394 . . . . 75.02 111.24 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.9 mmt -65.71 -23.9 66.86 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.687 0.756 . . . . 75.12 111.549 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 68' ' ' ALA . 77.8 tttt -52.52 -52.74 53.16 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-N 114.246 -1.343 . . . . 72.42 108.728 171.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.25 -21.77 61.33 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.578 -1.192 . . . . 71.31 111.122 -177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -81.22 -18.71 45.16 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.159 0.504 . . . . 71.51 109.665 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.05 0.39 22.59 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.153 -1.022 . . . . 74.32 113.621 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.68 -48.65 12.28 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 117.344 0.572 . . . . 71.42 111.094 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.91 80.95 1.49 Allowed 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 120.629 -0.428 . . . . 70.42 109.928 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 CA-C-N 116.479 -0.328 . . . . 2.1 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.543 . . . . . . . . 55.03 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.457 ' CE ' HD11 ' A' ' 61' ' ' LEU . 16.8 tpt -84.61 99.43 10.77 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 121.415 0.626 . . . . 63.32 110.104 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.9 p -108.65 -176.64 3.1 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 115.478 -0.783 . . . . 74.44 109.704 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -69.17 -28.9 66.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 65.11 108.113 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -65.07 -47.19 78.15 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 115.058 -0.974 . . . . 63.42 109.758 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.72 97.99 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.224 -0.658 . . . . 74.14 109.224 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 29.1 t80 -56.13 -43.13 77.94 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.054 -0.976 . . . . 74.32 111.808 175.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -16.39 63.99 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 123.012 0.525 . . . . 63.22 111.81 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -103.31 3.77 35.72 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.319 -0.4 . . . . 62.05 110.802 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' A' ' 65' ' ' LYS . 80.9 mt -79.45 154.67 76.59 Favored Pre-proline 0 C--O 1.249 1.036 0 N-CA-C 112.165 0.431 . . . . 72.11 112.165 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.9 Cg_endo -61.78 163.45 18.77 Favored 'Trans proline' 0 C--O 1.24 0.61 0 C-N-CA 123.47 2.78 . . . . 71.33 112.314 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.682 ' HG ' HE21 ' A' ' 67' ' ' GLN . 54.8 tp -57.38 -45.37 84.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.017 -0.538 . . . . 73.24 112.221 -175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 57.3 p-90 -60.56 -31.69 70.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.752 0.31 . . . . 71.55 110.646 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.6 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -75.99 -29.52 58.23 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-N 116.039 -0.528 . . . . 65.12 111.221 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.5 mm-40 -67.99 -40.91 82.99 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.575 -0.898 . . . . 54.13 108.575 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.682 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.7 mt-30 -70.49 -44.82 66.88 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-N 115.232 -0.895 . . . . 61.43 109.046 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.16 -35.48 75.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.943 -0.571 . . . . 75.53 111.986 -178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 83.6 mt -86.94 -45.67 10.59 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 112.509 0.559 . . . . 74.12 112.509 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.698 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 10.7 mmt -70.57 -30.29 66.95 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 112.79 0.663 . . . . 74.42 112.79 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -65.42 -34.52 78.48 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.747 -0.206 . . . . 75.23 111.121 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 14.7 pt-20 -72.21 -20.55 61.55 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.408 -0.917 . . . . 50.13 110.42 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.9 -6.56 26.53 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.106 -0.497 . . . . 51.03 111.659 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.2 33.44 9.52 Favored Glycine 0 C--N 1.312 -0.802 0 C-N-CA 120.891 -0.671 . . . . 64.43 113.927 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.698 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.2 mp -96.39 -62.95 1.19 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 117.598 0.699 . . . . 50.2 110.424 175.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -157.22 116.17 3.3 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.671 -0.492 . . . . 71.41 109.671 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.158 -0.474 . . . . 35.51 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.599 . . . . . . . . 73.15 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 48.8 ttm -105.58 99.91 9.49 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.685 0.755 . . . . 75.44 111.123 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 p -101.41 -177.95 3.59 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 114.664 -1.153 . . . . 62.22 108.607 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -63.6 -27.06 68.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.928 0.394 . . . . 75.53 110.841 173.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -70.75 -45.36 64.94 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.271 -0.64 . . . . 64.31 109.271 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.9 89.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.029 -0.532 . . . . 73.41 110.184 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -56.7 -41.76 77.93 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 115.501 -0.772 . . . . 75.24 110.873 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.14 -16.83 63.74 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.16 0.505 . . . . 74.34 111.616 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -98.5 -8.72 26.18 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.964 0.412 . . . . 62.13 111.029 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 74.4 mt -70.3 153.42 95.2 Favored Pre-proline 0 C--O 1.248 1.022 0 CA-C-N 116.407 -0.361 . . . . 73.12 111.53 176.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 158.94 39.95 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 122.946 2.431 . . . . 71.22 111.559 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' HG ' HE21 ' A' ' 67' ' ' GLN . 40.5 tp -54.63 -42.82 71.69 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 123.531 0.732 . . . . 70.34 112.328 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 52.5 p-90 -61.76 -32.3 72.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.917 0.389 . . . . 74.44 110.72 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' HG2' ' CZ3' ' A' ' 64' ' ' TRP . 1.6 mmtp -74.41 -27.55 60.68 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 116.011 -0.54 . . . . 74.23 111.242 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 13.0 mm-40 -67.73 -42.53 81.74 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.449 -0.945 . . . . 73.22 108.449 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.499 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.7 mt-30 -69.41 -46.29 67.2 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.48 -1.237 . . . . 72.12 109.09 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.75 76.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.67 -0.695 . . . . 23.21 111.871 -176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 71.6 mt -83.25 -51.11 7.75 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 116.365 -0.38 . . . . 73.31 111.563 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 8.8 mmt -64.1 -18.92 64.87 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 121.479 0.657 . . . . 51.4 111.189 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 0.5 OUTLIER -55.5 -32.62 63.02 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.926 0.89 . . . . 65.1 110.785 173.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 9.7 pt-20 -64.5 -26.42 68.42 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 120.605 -0.438 . . . . 74.31 111.374 -177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 88.2 mttt -100.35 1.46 41.53 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.219 0.533 . . . . 65.12 110.365 -177.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.43 19.87 59.6 Favored Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.608 -0.724 . . . . 72.24 114.358 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.27 -38.16 60.61 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 117.804 0.802 . . . . 72.43 109.096 175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -118.19 132.5 56.32 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.651 -1.24 . . . . 64.31 107.651 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.929 0 CA-C-N 116.804 -0.18 . . . . 72.03 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 . . . . . . . . 54.53 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.477 ' CE ' HD11 ' A' ' 61' ' ' LEU . 27.0 ptm -140.46 149.06 42.08 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.325 -0.62 . . . . 71.24 109.325 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.7 p -86.35 175.87 8.2 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.617 -0.883 . . . . 71.04 108.617 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -81.22 -23.63 37.97 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.583 -0.447 . . . . 70.41 109.904 174.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.0 m -66.21 -38.36 87.77 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.104 -0.702 . . . . 62.14 109.104 172.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.08 -38.11 87.58 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 109.297 -0.631 . . . . 71.02 109.297 175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.8 -43.74 94.31 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-N 115.717 -0.674 . . . . 64.42 110.555 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.4 -12.85 61.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.103 0.477 . . . . 52.35 111.552 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -99.39 0.31 42.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.734 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.762 HD13 ' HD3' ' A' ' 65' ' ' LYS . 75.3 mt -82.58 153.82 68.2 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 116.636 -0.256 . . . . 72.13 111.551 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.4 Cg_endo -62.82 159.52 37.29 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.08 2.52 . . . . 74.11 111.779 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 46.9 tp -53.05 -42.78 66.1 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.786 0.834 . . . . 73.24 112.157 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 51.3 p-90 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.383 -0.371 . . . . 73.12 110.522 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.762 ' HD3' HD13 ' A' ' 61' ' ' LEU . 32.9 mttt -73.9 -32.56 63.63 Favored 'General case' 0 CA--C 1.484 -1.559 0 CA-C-N 116.004 -0.544 . . . . 60.53 110.664 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -63.98 -40.95 97.55 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.094 -0.706 . . . . 72.22 109.094 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.584 ' HA ' ' CD2' ' A' ' 76' ' ' PHE . 52.4 mt-30 -74.14 -43.42 57.53 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.342 -0.844 . . . . 75.42 110.477 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.27 -32.18 73.71 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.318 0.488 . . . . 52.21 112.318 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.52 -46.2 10.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.067 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.55 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 13.2 mmt -67.56 -19.56 65.28 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.94 -0.304 . . . . 74.22 111.438 177.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -58.99 -38.27 78.78 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 122.701 0.4 . . . . 73.3 110.11 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.11 -23.84 65.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.765 0.793 . . . . 74.34 110.172 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG3' ' HE2' ' A' ' 70' ' ' MET . 31.1 mmmt -91.58 -16.82 26.55 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.173 -0.921 . . . . 65.01 110.342 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.02 11.12 50.55 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 114.181 0.432 . . . . 74.34 114.181 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 8.1 mp -72.64 -50.52 24.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.473 0.637 . . . . 73.15 112.71 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 67' ' ' GLN . 96.1 m-85 -94.65 85.69 4.56 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.287 0.565 . . . . 65.15 111.256 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.634 0 CA-C-N 116.273 -0.421 . . . . 51.03 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.623 . . . . . . . . 65.32 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.448 ' CE ' HD11 ' A' ' 61' ' ' LEU . 17.4 tpt -95.5 125.82 40.37 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.917 -0.401 . . . . 73.43 109.917 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.3 p -123.63 167.39 14.03 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.578 -0.897 . . . . 74.1 108.578 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . 0.271 4.2 ppt_? -76.32 -14.38 60.1 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 119.995 -0.682 . . . . 74.03 111.118 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -48.11 55.77 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 107.698 -1.223 . . . . 53.11 107.698 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -60.01 -37.92 81.14 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 115.861 -0.609 . . . . 42.2 109.47 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HA ' ' HG ' ' A' ' 61' ' ' LEU . 50.3 t80 -56.39 -45.38 80.6 Favored 'General case' 0 C--O 1.216 -0.687 0 O-C-N 123.478 0.486 . . . . 74.14 111.39 176.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -18.51 65.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.046 0.45 . . . . 60.43 111.279 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -97.7 -3.85 38.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.754 -0.657 . . . . 64.55 111.489 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD13 ' HD3' ' A' ' 65' ' ' LYS . 82.5 mt -74.55 154.32 87.62 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 112.091 0.404 . . . . 55.32 112.091 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 14.5 Cg_endo -61.63 161.24 25.27 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.879 2.386 . . . . 73.33 111.307 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.716 ' HG ' HE21 ' A' ' 67' ' ' GLN . 32.5 tp -58.27 -42.81 87.31 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.372 0.669 . . . . 70.25 111.77 -174.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -61.15 -34.81 75.61 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 120.671 0.272 . . . . 73.15 110.624 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HD3' HD13 ' A' ' 61' ' ' LEU . 14.8 mttt -70.34 -31.14 68.3 Favored 'General case' 0 C--O 1.204 -1.299 0 CA-C-N 116.468 -0.333 . . . . 71.51 111.307 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' NE2' ' HB2' ' A' ' 61' ' ' LEU . 14.2 mm-40 -66.59 -42.72 86.53 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.89 -0.781 . . . . 73.11 108.89 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.716 HE21 ' HG ' ' A' ' 63' ' ' LEU . 65.9 mt-30 -71.16 -46.26 61.8 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.205 -0.907 . . . . 73.21 109.859 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -32.0 73.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.609 -0.723 . . . . 74.4 112.086 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.7 mt -86.29 -46.85 9.94 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 121.097 -0.241 . . . . 75.32 111.409 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 15.4 mmt -65.21 -21.81 66.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.544 -0.298 . . . . 63.13 111.281 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 76' ' ' PHE . 24.0 ttmm -51.44 -50.06 60.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 65.31 109.733 170.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.65 -25.53 63.05 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.244 0.545 . . . . 65.01 110.783 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 3.3 tmtp? -80.3 -14.71 58.16 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 108.698 -0.853 . . . . 73.11 108.698 -178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.78 4.1 36.67 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 120.263 -0.97 . . . . 61.43 114.068 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.2 mp -76.67 -40.78 47.86 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.906 0.86 . . . . 75.23 109.427 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HB2' ' HA ' ' A' ' 71' ' ' LYS . 98.9 m-85 -110.34 99.94 8.88 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.088 -1.078 . . . . 74.2 108.088 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.926 0 CA-C-N 116.46 -0.336 . . . . 64.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.755 . . . . . . . . 62.24 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 43.2 ttm -98.54 116.38 30.63 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.567 . . . . 71.33 110.408 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.4 p -93.59 178.6 5.64 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.162 -0.926 . . . . 72.23 108.871 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -65.0 -30.32 71.3 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 120.585 0.231 . . . . 71.15 110.615 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -67.4 -45.23 76.8 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.703 -0.851 . . . . 72.4 108.703 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -60.39 -42.13 95.24 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 109.39 -0.596 . . . . 52.51 109.39 177.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -60.42 -42.18 95.47 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 114.641 -1.163 . . . . 63.22 111.496 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.62 -23.0 66.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.066 0.46 . . . . 73.51 111.791 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -84.22 -16.54 42.94 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.446 -0.343 . . . . 73.41 111.305 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.7 mt -68.37 154.39 94.31 Favored Pre-proline 0 C--O 1.246 0.884 0 N-CA-C 112.536 0.569 . . . . 75.23 112.536 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 25.5 Cg_endo -65.99 160.17 45.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.118 2.545 . . . . 72.12 111.714 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HG ' HE21 ' A' ' 67' ' ' GLN . 44.0 tp -54.29 -43.79 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.01 0.924 . . . . 62.42 112.19 -176.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -61.41 -32.6 72.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.788 0.328 . . . . 65.52 110.704 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -74.42 -30.2 61.82 Favored 'General case' 0 CA--C 1.491 -1.298 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.841 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.7 mm-40 -64.96 -42.49 94.55 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.377 -0.971 . . . . 74.33 108.377 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.565 HE21 ' HG ' ' A' ' 63' ' ' LEU . 68.7 mt-30 -67.93 -49.19 63.29 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.018 -0.992 . . . . 62.44 109.278 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.13 -35.44 75.28 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 123.578 0.751 . . . . 53.13 112.37 -175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -83.76 -46.97 11.66 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.008 0.432 . . . . 72.14 111.279 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.0 mmt -66.47 -20.95 66.17 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.117 -0.633 . . . . 73.13 111.33 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.734 ' HD3' ' HB2' ' A' ' 76' ' ' PHE . 26.6 mmtp -53.54 -53.42 51.89 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.69 0.281 . . . . 62.52 110.604 170.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.57 -13.09 60.62 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.172 -0.611 . . . . 72.5 112.188 -172.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HD3' ' HE2' ' A' ' 70' ' ' MET . 29.1 mtpp -98.22 4.01 48.88 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.279 0.561 . . . . 64.05 111.713 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.96 28.76 55.96 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.768 -0.651 . . . . 44.13 114.521 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 6.6 mp -93.21 -40.07 10.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 117.647 0.724 . . . . 73.23 109.616 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.734 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . 97.0 m-85 -102.51 95.57 6.34 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.244 -1.021 . . . . 73.3 108.244 174.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-N 116.651 -0.25 . . . . 3.44 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 . . . . . . . . 61.21 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.678 ' HG3' ' HB3' ' A' ' 57' ' ' ALA . 45.3 ttm -94.87 118.17 31.34 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.338 0.589 . . . . 74.45 111.407 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 p -95.1 -178.36 4.45 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.338 -0.847 . . . . 65.23 109.054 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -61.38 -33.53 73.81 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.267 -1.012 . . . . 73.04 108.267 174.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -58.94 -50.28 74.65 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.489 -0.778 . . . . 61.32 109.995 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' HB3' ' HG3' ' A' ' 53' ' ' MET . . . -64.85 -40.79 95.71 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.833 -0.621 . . . . 60.55 110.111 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -60.21 -42.12 94.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.462 -0.79 . . . . 71.43 111.559 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.52 -21.05 65.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 116.324 -0.398 . . . . 50.43 111.994 -177.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -90.36 -19.17 24.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 116.747 -0.206 . . . . 64.05 111.322 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 65' ' ' LYS . 70.4 mt -63.71 152.82 85.51 Favored Pre-proline 0 C--O 1.239 0.549 0 N-CA-C 113.448 0.907 . . . . 64.12 113.448 -177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 17.8 Cg_endo -63.43 162.17 28.4 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.504 2.802 . . . . 64.01 112.597 176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.676 ' HG ' HE21 ' A' ' 67' ' ' GLN . 47.4 tp -53.4 -44.36 68.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 124.338 1.055 . . . . 71.15 112.381 -178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 53.2 p-90 -60.82 -33.95 73.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.233 0.539 . . . . 72.24 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.6 mmtp -73.99 -29.89 62.2 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 115.679 -0.691 . . . . 70.32 110.939 -179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 16.3 mm-40 -66.95 -42.79 84.65 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.319 -0.993 . . . . 70.34 108.319 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.676 HE21 ' HG ' ' A' ' 63' ' ' LEU . 70.7 mt-30 -67.64 -46.32 72.81 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.851 -1.068 . . . . 72.51 109.825 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.29 99.15 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.279 -0.873 . . . . 75.54 111.365 -177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.6 mt -76.25 -44.69 36.22 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 116.239 -0.437 . . . . 64.45 111.572 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.6 mmt -67.85 -24.04 65.22 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 116.221 -0.445 . . . . 61.02 111.169 178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -64.78 -40.66 95.61 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.298 0.239 . . . . 75.52 110.428 174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -23.23 65.86 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.061 0.457 . . . . 75.54 111.349 176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.827 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 10.0 mmpt? -88.26 -23.73 23.42 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 120.995 0.426 . . . . 61.33 110.784 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.64 11.8 29.94 Favored Glycine 0 C--N 1.312 -0.777 0 C-N-CA 120.415 -0.898 . . . . 53.11 113.556 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.5 mp -77.05 -57.65 3.72 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 117.394 0.597 . . . . 71.52 111.085 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 27.6 p90 -156.46 97.8 1.78 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.453 0.644 . . . . 72.12 110.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.737 0 CA-C-N 116.159 -0.473 . . . . 62.32 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.482 . . . . . . . . 64.33 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.571 ' HE1' HD11 ' A' ' 61' ' ' LEU . 24.6 ptm -96.41 140.09 31.58 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 108.82 -0.807 . . . . 72.32 108.82 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.3 p -74.21 160.78 30.68 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.729 -0.669 . . . . 64.21 112.617 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 29.9 ttp180 -64.53 -26.44 68.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.349 -0.841 . . . . 73.44 110.124 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.2 t -64.01 -40.37 96.19 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.923 -0.58 . . . . 54.12 109.71 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.86 -36.44 70.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.891 -0.781 . . . . 54.35 108.891 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 55' ' ' ARG . 25.3 t80 -57.43 -42.89 83.28 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.024 -0.989 . . . . 74.04 111.101 176.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.89 -10.88 53.25 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.202 0.525 . . . . 63.5 111.508 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -101.8 -0.55 34.05 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.266 -0.425 . . . . 75.11 111.297 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.72 HD13 ' HD2' ' A' ' 65' ' ' LYS . 58.6 mt -88.1 154.95 52.4 Favored Pre-proline 0 C--N 1.309 -1.152 0 C-N-CA 120.702 -0.399 . . . . 72.52 112.008 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.528 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 16.6 Cg_endo -62.39 165.48 15.17 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.774 2.983 . . . . 63.51 112.568 177.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.4 tp -57.59 -45.7 84.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.699 0.8 . . . . 71.43 112.279 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 65' ' ' LYS . 58.6 p-90 -59.64 -34.93 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.246 0.546 . . . . 65.53 110.372 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.72 ' HD2' HD13 ' A' ' 61' ' ' LEU . 2.4 mmtp -72.0 -32.1 66.88 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-N 115.809 -0.632 . . . . 74.12 110.783 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 15.6 mm-40 -65.09 -44.26 89.44 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.216 -1.031 . . . . 74.32 108.216 177.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.55 HE21 ' HG ' ' A' ' 63' ' ' LEU . 72.2 mt-30 -69.29 -40.78 77.5 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 115.217 -0.901 . . . . 70.03 110.474 -178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.14 95.6 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.779 -0.646 . . . . 42.51 110.923 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.778 -0.647 . . . . 74.32 111.608 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.414 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 10.6 mmt -64.99 -31.64 72.98 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.114 -0.494 . . . . 51.2 112.016 177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.714 ' HG2' ' HB2' ' A' ' 76' ' ' PHE . 36.8 mtmm -64.03 -36.2 83.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 120.114 -0.634 . . . . 64.43 111.346 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.11 -38.48 90.83 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.599 -0.273 . . . . 64.13 111.28 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -77.84 -22.89 49.25 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.026 -0.67 . . . . 72.24 110.299 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.07 16.18 6.87 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.515 -0.85 . . . . 73.3 114.878 172.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.4 -64.47 1.14 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 117.561 0.68 . . . . 74.43 111.775 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.714 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . 50.6 m-85 -85.29 113.22 21.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.427 -0.351 . . . . 64.34 110.211 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 CA-C-N 116.7 -0.227 . . . . 1.11 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.4 . . . . . . . . 22.14 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.46 ' SD ' HD11 ' A' ' 61' ' ' LEU . 49.1 ttm -88.56 96.29 10.57 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.43 0.633 . . . . 64.22 110.271 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.5 p -88.66 -173.32 4.09 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.772 -1.104 . . . . 75.14 108.699 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 mtm-85 -73.13 -22.23 60.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.366 -0.605 . . . . 75.35 109.366 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 m -72.29 -46.29 56.41 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 115.088 -0.96 . . . . 70.3 109.386 174.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.61 95.23 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.186 -0.672 . . . . 62.51 109.186 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -55.0 -43.03 73.21 Favored 'General case' 0 C--O 1.202 -1.425 0 CA-C-N 115.109 -0.95 . . . . 73.42 111.379 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.51 -17.99 63.64 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.07 0.462 . . . . 53.03 111.499 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -88.64 -15.24 35.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.093 -0.503 . . . . 71.12 111.056 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD11 ' SD ' ' A' ' 53' ' ' MET . 59.7 mt -69.85 153.07 95.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 111.92 0.341 . . . . 51.4 111.92 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 18.0 Cg_endo -63.12 160.07 36.02 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.177 2.585 . . . . 52.33 111.733 177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.639 ' HG ' HE21 ' A' ' 67' ' ' GLN . 51.9 tp -55.47 -44.41 76.43 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.794 0.838 . . . . 61.14 112.271 -176.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -59.78 -31.53 69.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.925 0.393 . . . . 64.55 110.63 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HD3' HD13 ' A' ' 61' ' ' LEU . 7.5 mttp -75.39 -30.42 60.11 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 116.259 -0.428 . . . . 64.34 110.586 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 62' ' ' PRO . 14.5 mm-40 -65.79 -41.94 91.34 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.194 -1.039 . . . . 74.32 108.194 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.639 HE21 ' HG ' ' A' ' 63' ' ' LEU . 64.8 mt-30 -66.33 -48.57 69.86 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.924 -1.034 . . . . 71.32 108.872 178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.16 83.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.334 -0.848 . . . . 75.54 112.175 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.5 mt -81.8 -45.26 15.83 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.895 -0.593 . . . . 74.12 111.74 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.572 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 8.9 mmt -69.06 -22.74 64.0 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 120.713 -0.395 . . . . 72.11 111.619 178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 67' ' ' GLN . 3.0 tmtp? -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.559 -0.904 . . . . 73.2 108.559 175.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -62.97 -40.87 99.03 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.94 0.876 . . . . 73.11 109.828 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 75' ' ' LEU . 3.5 tmtp? -75.4 -24.32 57.17 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 114.306 -1.315 . . . . 72.52 109.34 -174.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 20.98 10.34 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.881 -0.676 . . . . 71.43 113.928 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' MET . 7.1 mp -84.6 -55.96 3.85 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 117.219 0.51 . . . . 74.21 110.278 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 67' ' ' GLN . 16.7 p90 -150.03 88.96 1.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.706 -0.679 . . . . 71.24 111.087 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 CA-C-N 115.658 -0.701 . . . . 63.44 . . . . . . . . . . 0 0 . 1 stop_ save_