data_1ik0_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 1ik0 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.469 0.112 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 14' ' ' ILE . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 53' ' ' ASN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.623 ' HD1' ' CG2' ' A' ' 75' ' ' VAL . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.623 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.5 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.413 ' CD2' ' O ' ' A' ' 97' ' ' LYS . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.495 1.582 0 CA-C-O 120.542 0.143 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 8' ' ' THR . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.646 ' N ' ' HG ' ' A' ' 7' ' ' SER . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 14' ' ' ILE . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.538 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.47 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.52 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.554 0.148 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CB ' HE22 ' A' ' 64' ' ' GLN . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.431 HE22 ' CB ' ' A' ' 51' ' ' LEU . 70.8 mm-40 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OD1' ' OXT' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.494 1.553 0 N-CA-C 111.729 -0.143 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 14' ' ' ILE . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.539 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.519 0 CA-C-O 120.606 0.169 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 7' ' ' SER . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 14' ' ' ILE . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.467 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.673 0.197 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.545 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.631 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.631 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' CYS . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.645 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 120.816 0.257 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' OE1' ' A' ' 24' ' ' GLN . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' C ' ' H ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.448 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CB ' HE22 ' A' ' 64' ' ' GLN . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 51' ' ' LEU . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.474 HE22 ' CB ' ' A' ' 51' ' ' LEU . 78.8 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.568 ' H ' ' C ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.492 1.39 0 CA-C-O 120.635 0.181 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.581 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo . . . . . 0 N--CA 1.495 1.59 0 CA-C-O 120.595 0.165 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.473 ' N ' ' HG ' ' A' ' 7' ' ' SER . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 14' ' ' ILE . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.405 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.605 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.491 1.346 0 CA-C-O 120.66 0.192 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 14' ' ' ILE . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.5 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.592 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.408 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.559 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 73' ' ' HIS . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.517 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.592 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.494 1.513 0 CA-C-O 120.691 0.205 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.432 HD13 HG23 ' A' ' 14' ' ' ILE . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.513 ' C ' ' H ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.51 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 CA-C-O 120.761 0.234 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.543 ' C ' ' H ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.59 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 78' ' ' GLY . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 N-CA-C 111.495 -0.233 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.66 ' HG ' ' N ' ' A' ' 8' ' ' THR . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.66 ' N ' ' HG ' ' A' ' 7' ' ' SER . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.565 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.565 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.613 ' N ' ' ND2' ' A' ' 113' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.8 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.532 ' HG1' ' H ' ' A' ' 41' ' ' ALA . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' H ' ' C ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.463 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 79' ' ' GLN . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.573 ' H ' ' HG ' ' A' ' 76' ' ' SER . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.605 0.169 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' C ' ' H ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.4 HG11 ' HD1' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.508 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' CD1' ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.4 m120 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 CA-C-O 120.642 0.184 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HD1' ' A' ' 73' ' ' HIS . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.497 1.713 0 CA-C-O 120.658 0.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.612 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.569 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' N ' ' HG ' ' A' ' 50' ' ' SER . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.612 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.567 0.153 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.667 ' HG1' ' H ' ' A' ' 41' ' ' ALA . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.667 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 N--CA 1.493 1.488 0 CA-C-O 120.444 0.102 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.476 HD22 ' CD1' ' A' ' 83' ' ' LEU . 99.0 m-20 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.485 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 53' ' ' ASN . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 90' ' ' ILE . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.559 0.149 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 8' ' ' THR . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.525 ' N ' ' HG ' ' A' ' 7' ' ' SER . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.518 HD21 ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' HD21 ' A' ' 23' ' ' ASN . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.55 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.491 1.372 0 CA-C-O 120.659 0.191 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 8' ' ' THR . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.566 ' N ' ' HG ' ' A' ' 7' ' ' SER . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.567 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.444 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.527 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.602 ' HD1' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.602 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.62 0.175 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.572 ' H ' ' C ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.479 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 CA-C-O 120.706 0.211 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.549 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.549 ' N ' ' HG ' ' A' ' 7' ' ' SER . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.531 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.455 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 78' ' ' GLY . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 N-CA-C 111.779 -0.124 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.527 ' C ' ' H ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' HD1' ' A' ' 73' ' ' HIS . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 78' ' ' GLY . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.486 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 N--CA 1.494 1.543 0 CA-C-O 120.677 0.199 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.574 ' HG ' ' N ' ' A' ' 77' ' ' ALA . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' N ' ' HG ' ' A' ' 76' ' ' SER . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.744 0.227 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 8' ' ' THR . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' SER . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.496 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.688 ' N ' HE21 ' A' ' 24' ' ' GLN . 0.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.633 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' ' HG ' ' A' ' 50' ' ' SER . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.457 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.526 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 111' ' ' ARG . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.551 0.146 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.42 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.432 ' HG1' HH21 ' A' ' 11' ' ' ARG . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HG1' ' A' ' 8' ' ' THR . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.461 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.763 0.235 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.549 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 84' ' ' HIS . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.768 0.237 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' ' CD2' ' A' ' 83' ' ' LEU . 93.6 m-20 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 51' ' ' LEU . 47.6 mm-40 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.418 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.465 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.42 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 90' ' ' ILE . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OD1' ' OXT' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.546 0.144 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.577 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' CD ' ' HG ' ' A' ' 58' ' ' SER . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.411 HG12 ' HD1' ' A' ' 73' ' ' HIS . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.47 ' HG ' ' H ' ' A' ' 79' ' ' GLN . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' H ' ' HG ' ' A' ' 76' ' ' SER . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HG22 HD13 ' A' ' 90' ' ' ILE . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.356 0.598 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.72 54.67 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -49.65 174.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.392 1.395 . . . . 0.0 111.828 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.56 127.43 78.25 Favored Pre-proline 0 N--CA 1.486 1.346 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -54.24 169.23 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 CA-C-N 120.201 1.108 . . . . 0.0 111.825 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 14' ' ' ILE . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 53' ' ' ASN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.623 ' HD1' ' CG2' ' A' ' 75' ' ' VAL . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.623 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.5 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.413 ' CD2' ' O ' ' A' ' 97' ' ' LYS . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.239 0.542 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.25 52.99 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -49.65 150.24 9.2 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.188 1.259 . . . . 0.0 112.14 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.4 142.29 46.59 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.91 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.78 162.41 39.65 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 120.585 0.857 . . . . 0.0 111.838 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 8' ' ' THR . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.646 ' N ' ' HG ' ' A' ' 7' ' ' SER . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HG22 ' A' ' 14' ' ' ILE . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.538 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.47 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.52 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.0 mpp? . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.63 175.06 38.04 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -47.01 164.56 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.974 1.116 . . . . 0.0 111.861 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.2 m -80.23 149.56 69.53 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 0.0 109.994 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.43 163.52 36.29 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 120.698 0.932 . . . . 0.0 112.111 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.536 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.532 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CB ' HE22 ' A' ' 64' ' ' GLN . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.431 HE22 ' CB ' ' A' ' 51' ' ' LEU . 70.8 mm-40 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.418 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OD1' ' OXT' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.84 168.8 49.38 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -45.69 154.3 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.588 1.525 . . . . 0.0 112.413 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.18 141.3 49.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -51.52 170.55 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 120.627 0.884 . . . . 0.0 111.729 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 14' ' ' ILE . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.577 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.539 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.311 0.577 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.0 165.81 54.71 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -47.19 138.79 16.57 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 121.13 1.22 . . . . 0.0 111.767 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 m -80.74 151.75 71.45 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -61.08 163.63 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 120.595 0.864 . . . . 0.0 112.24 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.448 ' N ' ' HG ' ' A' ' 7' ' ' SER . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 14' ' ' ILE . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.467 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.55 174.99 37.88 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -47.4 173.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.282 1.322 . . . . 0.0 112.364 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -80.16 148.37 67.31 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 0.0 108.592 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.47 166.45 3.51 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 120.575 0.85 . . . . 0.0 112.463 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.545 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.645 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.631 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.631 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' CYS . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.645 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.08 161.26 53.2 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -48.38 175.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.182 1.255 . . . . 0.0 112.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.77 151.42 67.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.379 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -59.54 166.84 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 120.494 0.796 . . . . 0.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' OE1' ' A' ' 24' ' ' GLN . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' C ' ' H ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.448 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CB ' HE22 ' A' ' 64' ' ' GLN . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 51' ' ' LEU . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.474 HE22 ' CB ' ' A' ' 51' ' ' LEU . 78.8 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.568 ' H ' ' C ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.341 0.591 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.98 171.39 53.89 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.0 Cg_exo -50.98 -171.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.216 1.277 . . . . 0.0 112.167 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 m -80.71 140.35 51.03 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 108.989 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -59.1 166.38 7.25 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 119.882 0.993 . . . . 0.0 112.082 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.581 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.551 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.176 0.513 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.02 159.99 53.33 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -50.39 159.59 1.96 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.079 1.186 . . . . 0.0 111.878 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -80.28 148.34 66.78 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.473 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -70.53 162.67 41.62 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 120.955 1.103 . . . . 0.0 112.266 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.473 ' N ' ' HG ' ' A' ' 7' ' ' SER . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 14' ' ' ILE . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.405 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.605 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.56 164.83 54.71 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLY . 5.6 Cg_exo -49.41 -174.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.299 1.332 . . . . 0.0 112.276 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 m -80.03 146.63 63.81 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.217 -0.927 . . . . 0.0 109.41 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.86 165.79 6.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 119.298 0.785 . . . . 0.0 111.928 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 14' ' ' ILE . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.5 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.592 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.408 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.559 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' A' ' 73' ' ' HIS . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.517 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.592 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.469 0.652 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -71.0 166.28 52.47 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLY . 16.8 Cg_exo -44.71 175.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.367 1.378 . . . . 0.0 112.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m -80.14 148.64 68.03 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.171 -0.956 . . . . 0.0 109.095 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -63.31 165.67 16.81 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 120.732 0.955 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.432 HD13 HG23 ' A' ' 14' ' ' ILE . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.513 ' C ' ' H ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.51 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.471 0.653 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.01 161.42 53.07 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -51.05 142.4 34.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.99 1.127 . . . . 0.0 111.645 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -79.72 149.09 70.47 Favored Pre-proline 0 C--N 1.305 -1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 108.611 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.45 166.34 3.6 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 120.441 0.76 . . . . 0.0 111.834 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.543 ' C ' ' H ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.59 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.542 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 78' ' ' GLY . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.59 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.318 0.58 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -69.74 163.67 51.75 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' GLY . 14.1 Cg_exo -47.64 -173.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.447 1.431 . . . . 0.0 112.944 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 m -80.04 143.62 57.57 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.397 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -54.05 169.78 0.59 Allowed 'Trans proline' 0 N--CA 1.492 1.396 0 CA-C-N 119.388 0.817 . . . . 0.0 111.495 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.66 ' HG ' ' N ' ' A' ' 8' ' ' THR . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.66 ' N ' ' HG ' ' A' ' 7' ' ' SER . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.565 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.565 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.613 ' N ' ' ND2' ' A' ' 113' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.84 169.52 53.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -47.22 167.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.343 1.362 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.24 148.79 60.59 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.652 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -66.49 163.57 31.99 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 CA-C-N 119.364 0.808 . . . . 0.0 111.523 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.8 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.532 ' HG1' ' H ' ' A' ' 41' ' ' ALA . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' H ' ' C ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.463 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 79' ' ' GLN . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.573 ' H ' ' HG ' ' A' ' 76' ' ' SER . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.48 159.37 53.64 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -47.16 164.32 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 120.963 1.109 . . . . 0.0 111.904 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 m -81.25 148.82 64.39 Favored Pre-proline 0 C--N 1.304 -1.393 0 O-C-N 121.233 -0.917 . . . . 0.0 108.934 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.3 164.77 4.9 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.472 0.781 . . . . 0.0 112.047 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' C ' ' H ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.4 HG11 ' HD1' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CD1' ' CD1' ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.508 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' CD1' ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.4 m120 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.35 172.13 52.35 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' GLY . 24.4 Cg_exo -43.2 169.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.286 1.324 . . . . 0.0 111.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -79.55 147.53 67.86 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 120.987 -1.071 . . . . 0.0 109.319 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -50.07 170.19 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.847 1.031 . . . . 0.0 112.102 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HD1' ' A' ' 73' ' ' HIS . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.277 0.561 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.21 162.31 54.17 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -47.84 136.75 22.32 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.375 1.384 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.33 147.37 56.52 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -64.1 166.59 16.23 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 120.849 1.033 . . . . 0.0 112.571 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.612 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.569 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' N ' ' HG ' ' A' ' 50' ' ' SER . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.612 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.95 168.74 54.08 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -42.78 162.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 120.98 1.12 . . . . 0.0 111.825 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.3 t -80.49 129.46 68.81 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.164 -0.96 . . . . 0.0 109.121 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.48 164.56 5.41 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 CA-C-N 120.019 1.042 . . . . 0.0 112.063 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.551 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.667 ' HG1' ' H ' ' A' ' 41' ' ' ALA . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.667 ' H ' ' HG1' ' A' ' 40' ' ' THR . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.603 HH11 ' CG ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.71 167.84 50.16 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.7 Cg_exo -42.56 170.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 121.44 1.427 . . . . 0.0 112.474 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 m -80.43 149.31 68.43 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -50.91 170.02 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 120.934 1.09 . . . . 0.0 112.087 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.485 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.476 HD22 ' CD1' ' A' ' 83' ' ' LEU . 99.0 m-20 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.485 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' CD1' HD22 ' A' ' 53' ' ' ASN . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.429 HG21 HD11 ' A' ' 90' ' ' ILE . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.26 160.2 53.48 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -48.15 156.5 1.52 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.08 1.187 . . . . 0.0 111.95 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.71 137.83 47.4 Favored Pre-proline 0 N--CA 1.487 1.424 0 O-C-N 121.128 -0.983 . . . . 0.0 108.756 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -63.84 164.01 23.1 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 CA-C-N 119.936 1.013 . . . . 0.0 112.168 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 8' ' ' THR . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.525 ' N ' ' HG ' ' A' ' 7' ' ' SER . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.518 HD21 ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.518 ' N ' HD21 ' A' ' 23' ' ' ASN . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.55 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.55 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.33 0.586 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.0 165.04 54.18 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -43.36 155.44 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 120.942 1.095 . . . . 0.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 147.73 66.41 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.72 163.21 31.34 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 120.535 0.823 . . . . 0.0 111.755 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 8' ' ' THR . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.566 ' N ' ' HG ' ' A' ' 7' ' ' SER . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.568 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.567 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.444 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.527 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.602 ' HD1' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.602 ' CG2' ' HD1' ' A' ' 73' ' ' HIS . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.28 160.03 53.5 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.41 134.54 55.72 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.414 1.41 . . . . 0.0 112.485 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -81.3 150.01 66.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -62.12 166.59 12.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 120.582 0.855 . . . . 0.0 112.214 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.514 ' C ' ' H ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.502 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.572 ' H ' ' C ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.479 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' HG2' HH11 ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.03 53.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -48.08 151.03 4.42 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.246 1.298 . . . . 0.0 111.917 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -80.15 149.32 69.4 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.361 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -59.47 166.54 7.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.422 0.748 . . . . 0.0 111.623 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.549 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.549 ' N ' ' HG ' ' A' ' 7' ' ' SER . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.531 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 78' ' ' GLY . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG3' ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mtp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.55 162.51 54.29 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -48.21 147.06 8.79 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.108 1.205 . . . . 0.0 111.932 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 m -81.98 145.91 54.35 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.092 -1.005 . . . . 0.0 109.86 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -51.22 168.38 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.647 0.898 . . . . 0.0 111.779 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.527 ' C ' ' H ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.42 HG22 ' HD1' ' A' ' 73' ' ' HIS . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 78' ' ' GLY . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.486 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.62 51.92 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -54.53 168.95 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 CA-C-N 118.132 0.966 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.16 149.85 66.95 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.099 . . . . 0.0 109.213 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -64.77 164.47 24.14 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 120.82 1.013 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.51 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.574 ' HG ' ' N ' ' A' ' 77' ' ' ALA . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' N ' ' HG ' ' A' ' 76' ' ' SER . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.27 178.7 30.19 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.1 Cg_exo -47.03 -178.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.016 1.144 . . . . 0.0 111.972 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.54 145.48 67.56 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.928 -1.108 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -62.82 165.96 15.03 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 120.679 0.919 . . . . 0.0 112.123 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 8' ' ' THR . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' SER . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.496 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.688 ' N ' HE21 ' A' ' 24' ' ' GLN . 0.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.633 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.556 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' N ' ' HG ' ' A' ' 50' ' ' SER . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.457 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.526 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 111' ' ' ARG . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.339 0.59 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.37 161.8 53.38 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.23 -179.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 120.973 1.116 . . . . 0.0 111.805 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -81.16 141.23 49.85 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.124 -0.985 . . . . 0.0 109.549 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.96 167.2 1.19 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 CA-C-N 119.564 0.88 . . . . 0.0 111.888 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.42 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.432 ' HG1' HH21 ' A' ' 11' ' ' ARG . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HG1' ' A' ' 8' ' ' THR . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.461 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.06 169.55 48.83 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -46.62 173.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.173 1.249 . . . . 0.0 111.667 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.98 144.74 59.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.347 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.25 166.39 14.96 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 120.561 0.84 . . . . 0.0 112.236 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.549 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 50' ' ' SER . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 47' ' ' ALA . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 84' ' ' HIS . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.64 166.55 51.39 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.87 152.27 13.99 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.271 1.314 . . . . 0.0 112.637 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 m -82.51 150.25 62.87 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.857 . . . . 0.0 108.96 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -60.01 167.26 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 120.538 0.825 . . . . 0.0 112.419 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' N ' ' A' ' 81' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' ' CD2' ' A' ' 83' ' ' LEU . 93.6 m-20 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 51' ' ' LEU . 47.6 mm-40 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.418 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.465 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 90' ' ' ILE . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OD1' ' OXT' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.04 165.21 50.64 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.25 164.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 120.868 1.045 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -80.67 149.56 68.04 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.07 -1.018 . . . . 0.0 109.324 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -54.23 164.59 2.65 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 119.293 0.783 . . . . 0.0 111.798 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.577 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.577 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' CD ' ' HG ' ' A' ' 58' ' ' SER . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.411 HG12 ' HD1' ' A' ' 73' ' ' HIS . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.47 ' HG ' ' H ' ' A' ' 79' ' ' GLN . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' H ' ' HG ' ' A' ' 76' ' ' SER . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HG22 HD13 ' A' ' 90' ' ' ILE . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.469 0.112 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 92' ' ' VAL . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 53' ' ' ASN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.546 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 83' ' ' LEU . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' SER . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 106' ' ' LEU . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.495 1.582 0 CA-C-O 120.542 0.143 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 20' ' ' ILE . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.727 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 52' ' ' ILE . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 83' ' ' LEU . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.535 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.554 0.148 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.438 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 65' ' ' ARG . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.626 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.626 HD12 ' CD1' ' A' ' 80' ' ' PHE . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 106' ' ' LEU . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.494 1.553 0 N-CA-C 111.729 -0.143 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG13 HG23 ' A' ' 21' ' ' THR . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 52' ' ' ILE . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.524 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 83' ' ' LEU . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 21' ' ' THR . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.519 0 CA-C-O 120.606 0.169 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 43' ' ' MET . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.512 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.407 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 106' ' ' LEU . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.673 0.197 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 21' ' ' THR . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 HG13 ' A' ' 20' ' ' ILE . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.63 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.594 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.594 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 52' ' ' ILE . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 80' ' ' PHE . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.63 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 111' ' ' ARG . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 120.816 0.257 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 52' ' ' ILE . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.608 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.476 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 32' ' ' SER . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.492 1.39 0 CA-C-O 120.635 0.181 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.426 HG13 HG23 ' A' ' 21' ' ' THR . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 HG23 HG13 ' A' ' 20' ' ' ILE . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 ' H ' ' HG2' ' A' ' 43' ' ' MET . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.599 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.621 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' SER . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo . . . . . 0 N--CA 1.495 1.59 0 CA-C-O 120.595 0.165 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.437 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.599 ' CB ' ' HE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.474 HD22 ' HE1' ' A' ' 80' ' ' PHE . 26.2 m120 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' HE2' ' CB ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' HE1' HD22 ' A' ' 53' ' ' ASN . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.476 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 106' ' ' LEU . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.491 1.346 0 CA-C-O 120.66 0.192 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.5 HG21 HG11 ' A' ' 96' ' ' VAL . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 14.2 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.445 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 83' ' ' LEU . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.574 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 85' ' ' VAL . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 88' ' ' THR . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' SER . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 21' ' ' THR . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.494 1.513 0 CA-C-O 120.691 0.205 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 20' ' ' ILE . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.469 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.634 ' CD1' HD12 ' A' ' 83' ' ' LEU . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.634 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 108' ' ' ARG . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 111' ' ' ARG . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 CA-C-O 120.761 0.234 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 28' ' ' LEU . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 24' ' ' GLN . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.586 ' NE1' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HB3' HE21 ' A' ' 64' ' ' GLN . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.41 HD22 ' HE1' ' A' ' 80' ' ' PHE . 84.7 m-20 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.586 ' NZ ' ' NE1' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 N-CA-C 111.495 -0.233 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.49 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.536 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 60' ' ' ILE . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 80' ' ' PHE . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 108' ' ' ARG . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 1.5 m-20 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.5 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 92' ' ' VAL . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' MET . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.492 ' HG2' ' H ' ' A' ' 40' ' ' THR . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 75' ' ' VAL . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 32' ' ' SER . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.605 0.169 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HE21 ' A' ' 64' ' ' GLN . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CD1' HD12 ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.559 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 101' ' ' LEU . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 CA-C-O 120.642 0.184 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' OE1' ' A' ' 24' ' ' GLN . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.442 ' H ' ' HG2' ' A' ' 43' ' ' MET . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 90' ' ' ILE . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.497 1.713 0 CA-C-O 120.658 0.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.487 ' H ' ' HG2' ' A' ' 43' ' ' MET . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.606 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 111' ' ' ARG . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.567 0.153 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.447 HG21 HG11 ' A' ' 96' ' ' VAL . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.62 ' CG ' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 67' ' ' LEU . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 83' ' ' LEU . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 88' ' ' THR . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 21' ' ' THR . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 N--CA 1.493 1.488 0 CA-C-O 120.444 0.102 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 20' ' ' ILE . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.405 ' CG ' HD22 ' A' ' 83' ' ' LEU . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.688 ' N ' HD22 ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 HE22 ' A' ' 64' ' ' GLN . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.451 HE22 HD12 ' A' ' 48' ' ' LEU . 19.9 mm100 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 83' ' ' LEU . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.537 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 80' ' ' PHE . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.559 0.149 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 52' ' ' ILE . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.491 1.372 0 CA-C-O 120.659 0.191 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 21' ' ' THR . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.62 0.175 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 ' H ' ' HG2' ' A' ' 43' ' ' MET . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 52' ' ' ILE . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.524 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 CA-C-O 120.706 0.211 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 96' ' ' VAL . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 8.7 p30 -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.697 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.494 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' SER . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HB3' HE21 ' A' ' 64' ' ' GLN . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 52' ' ' ILE . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 83' ' ' LEU . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.412 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 80' ' ' PHE . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 21' ' ' THR . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' HH12 ' A' ' 108' ' ' ARG . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' HH11 ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 N-CA-C 111.779 -0.124 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 83' ' ' LEU . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' SER . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HG2' ' NH1' ' A' ' 111' ' ' ARG . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 N--CA 1.494 1.543 0 CA-C-O 120.677 0.199 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' OH ' HD21 ' A' ' 10' ' ' LEU . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 65' ' ' ARG . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 86' ' ' ARG . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.744 0.227 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.646 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 52' ' ' ILE . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' SER . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 21' ' ' THR . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 106' ' ' LEU . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.551 0.146 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.432 ' H ' ' HG2' ' A' ' 43' ' ' MET . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 52' ' ' ILE . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 83' ' ' LEU . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.528 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.595 HD12 ' CD1' ' A' ' 80' ' ' PHE . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.763 0.235 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 21' ' ' THR . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.768 0.237 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 21' ' ' THR . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 HG13 ' A' ' 20' ' ' ILE . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.402 HD22 ' HE1' ' A' ' 80' ' ' PHE . 11.0 m120 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.467 ' H ' ' HB2' ' A' ' 79' ' ' GLN . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.467 ' HB2' ' H ' ' A' ' 76' ' ' SER . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 80' ' ' PHE . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 89' ' ' LYS . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 88' ' ' THR . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.546 0.144 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.544 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.356 0.598 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.72 54.67 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -49.65 174.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.392 1.395 . . . . 0.0 111.828 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 4' ' ' VAL . 35.5 m -79.56 127.43 78.25 Favored Pre-proline 0 N--CA 1.486 1.346 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -54.24 169.23 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 CA-C-N 120.201 1.108 . . . . 0.0 111.825 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 92' ' ' VAL . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 53' ' ' ASN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.546 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 83' ' ' LEU . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' SER . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.6 m80 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 106' ' ' LEU . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.239 0.542 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.25 52.99 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -49.65 150.24 9.2 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.188 1.259 . . . . 0.0 112.14 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.4 142.29 46.59 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.91 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.78 162.41 39.65 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 120.585 0.857 . . . . 0.0 111.838 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 20' ' ' ILE . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.727 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 52' ' ' ILE . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 83' ' ' LEU . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.535 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.63 175.06 38.04 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -47.01 164.56 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.974 1.116 . . . . 0.0 111.861 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.2 m -80.23 149.56 69.53 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 0.0 109.994 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.43 163.52 36.29 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 120.698 0.932 . . . . 0.0 112.111 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 65' ' ' ARG . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.626 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD12 ' CD1' ' A' ' 80' ' ' PHE . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 106' ' ' LEU . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.84 168.8 49.38 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -45.69 154.3 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.588 1.525 . . . . 0.0 112.413 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.18 141.3 49.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -51.52 170.55 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 120.627 0.884 . . . . 0.0 111.729 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG13 HG23 ' A' ' 21' ' ' THR . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 52' ' ' ILE . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.524 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 83' ' ' LEU . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 21' ' ' THR . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.311 0.577 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.0 165.81 54.71 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -47.19 138.79 16.57 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 121.13 1.22 . . . . 0.0 111.767 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.1 m -80.74 151.75 71.45 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -61.08 163.63 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 120.595 0.864 . . . . 0.0 112.24 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 43' ' ' MET . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.512 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.407 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 106' ' ' LEU . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.55 174.99 37.88 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -47.4 173.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.282 1.322 . . . . 0.0 112.364 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -80.16 148.37 67.31 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 0.0 108.592 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.47 166.45 3.51 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 120.575 0.85 . . . . 0.0 112.463 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 21' ' ' THR . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 HG13 ' A' ' 20' ' ' ILE . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.63 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.594 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.594 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 52' ' ' ILE . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 80' ' ' PHE . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.63 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 111' ' ' ARG . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.08 161.26 53.2 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -48.38 175.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.182 1.255 . . . . 0.0 112.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.77 151.42 67.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.379 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -59.54 166.84 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 120.494 0.796 . . . . 0.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 52' ' ' ILE . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.608 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.476 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 32' ' ' SER . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.341 0.591 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.98 171.39 53.89 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.0 Cg_exo -50.98 -171.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.216 1.277 . . . . 0.0 112.167 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 4' ' ' VAL . 17.1 m -80.71 140.35 51.03 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 108.989 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -59.1 166.38 7.25 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 119.882 0.993 . . . . 0.0 112.082 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.426 HG13 HG23 ' A' ' 21' ' ' THR . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 HG23 HG13 ' A' ' 20' ' ' ILE . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 ' H ' ' HG2' ' A' ' 43' ' ' MET . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.599 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.621 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' SER . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.176 0.513 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.02 159.99 53.33 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -50.39 159.59 1.96 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.079 1.186 . . . . 0.0 111.878 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -80.28 148.34 66.78 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.473 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -70.53 162.67 41.62 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 120.955 1.103 . . . . 0.0 112.266 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.437 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.599 ' CB ' ' HE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.474 HD22 ' HE1' ' A' ' 80' ' ' PHE . 26.2 m120 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.447 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' HE2' ' CB ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' HE1' HD22 ' A' ' 53' ' ' ASN . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.476 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 106' ' ' LEU . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.56 164.83 54.71 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLY . 5.6 Cg_exo -49.41 -174.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.299 1.332 . . . . 0.0 112.276 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 4' ' ' VAL . 14.8 m -80.03 146.63 63.81 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.217 -0.927 . . . . 0.0 109.41 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.86 165.79 6.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 119.298 0.785 . . . . 0.0 111.928 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.5 HG21 HG11 ' A' ' 96' ' ' VAL . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 14.2 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.445 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 83' ' ' LEU . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.574 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 85' ' ' VAL . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 88' ' ' THR . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' SER . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 21' ' ' THR . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.469 0.652 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -71.0 166.28 52.47 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLY . 16.8 Cg_exo -44.71 175.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.367 1.378 . . . . 0.0 112.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.5 m -80.14 148.64 68.03 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.171 -0.956 . . . . 0.0 109.095 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -63.31 165.67 16.81 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 120.732 0.955 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 20' ' ' ILE . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.469 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.634 ' CD1' HD12 ' A' ' 83' ' ' LEU . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.634 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 108' ' ' ARG . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 111' ' ' ARG . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.471 0.653 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.01 161.42 53.07 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -51.05 142.4 34.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.99 1.127 . . . . 0.0 111.645 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.462 ' H ' HG22 ' A' ' 4' ' ' VAL . 5.6 m -79.72 149.09 70.47 Favored Pre-proline 0 C--N 1.305 -1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 108.611 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.45 166.34 3.6 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 120.441 0.76 . . . . 0.0 111.834 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 28' ' ' LEU . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 24' ' ' GLN . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.586 ' NE1' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HB3' HE21 ' A' ' 64' ' ' GLN . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 HD22 ' HE1' ' A' ' 80' ' ' PHE . 84.7 m-20 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.586 ' NZ ' ' NE1' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.318 0.58 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -69.74 163.67 51.75 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' GLY . 14.1 Cg_exo -47.64 -173.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.447 1.431 . . . . 0.0 112.944 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.9 m -80.04 143.62 57.57 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.397 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -54.05 169.78 0.59 Allowed 'Trans proline' 0 N--CA 1.492 1.396 0 CA-C-N 119.388 0.817 . . . . 0.0 111.495 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.49 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.536 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 60' ' ' ILE . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 80' ' ' PHE . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 108' ' ' ARG . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 1.5 m-20 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.84 169.52 53.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -47.22 167.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.343 1.362 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.24 148.79 60.59 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.652 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -66.49 163.57 31.99 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 CA-C-N 119.364 0.808 . . . . 0.0 111.523 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.5 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 92' ' ' VAL . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' MET . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.492 ' HG2' ' H ' ' A' ' 40' ' ' THR . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 75' ' ' VAL . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 32' ' ' SER . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.48 159.37 53.64 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -47.16 164.32 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 120.963 1.109 . . . . 0.0 111.904 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 m -81.25 148.82 64.39 Favored Pre-proline 0 C--N 1.304 -1.393 0 O-C-N 121.233 -0.917 . . . . 0.0 108.934 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.3 164.77 4.9 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.472 0.781 . . . . 0.0 112.047 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HE21 ' A' ' 64' ' ' GLN . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CD1' HD12 ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.559 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 101' ' ' LEU . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.35 172.13 52.35 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' GLY . 24.4 Cg_exo -43.2 169.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.286 1.324 . . . . 0.0 111.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -79.55 147.53 67.86 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 120.987 -1.071 . . . . 0.0 109.319 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -50.07 170.19 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.847 1.031 . . . . 0.0 112.102 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' OE1' ' A' ' 24' ' ' GLN . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 ' H ' ' HG2' ' A' ' 43' ' ' MET . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 90' ' ' ILE . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.277 0.561 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.21 162.31 54.17 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -47.84 136.75 22.32 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.375 1.384 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.33 147.37 56.52 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -64.1 166.59 16.23 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 120.849 1.033 . . . . 0.0 112.571 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.487 ' H ' ' HG2' ' A' ' 43' ' ' MET . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.606 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 111' ' ' ARG . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.95 168.74 54.08 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -42.78 162.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 120.98 1.12 . . . . 0.0 111.825 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.3 t -80.49 129.46 68.81 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.164 -0.96 . . . . 0.0 109.121 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.48 164.56 5.41 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 CA-C-N 120.019 1.042 . . . . 0.0 112.063 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.447 HG21 HG11 ' A' ' 96' ' ' VAL . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.62 ' CG ' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 67' ' ' LEU . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 83' ' ' LEU . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 88' ' ' THR . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 21' ' ' THR . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.71 167.84 50.16 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.7 Cg_exo -42.56 170.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 121.44 1.427 . . . . 0.0 112.474 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 4' ' ' VAL . 5.3 m -80.43 149.31 68.43 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -50.91 170.02 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 120.934 1.09 . . . . 0.0 112.087 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 20' ' ' ILE . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.405 ' CG ' HD22 ' A' ' 83' ' ' LEU . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 HD12 HE22 ' A' ' 64' ' ' GLN . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.451 HE22 HD12 ' A' ' 48' ' ' LEU . 19.9 mm100 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 83' ' ' LEU . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.537 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 80' ' ' PHE . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.26 160.2 53.48 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -48.15 156.5 1.52 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.08 1.187 . . . . 0.0 111.95 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.71 137.83 47.4 Favored Pre-proline 0 N--CA 1.487 1.424 0 O-C-N 121.128 -0.983 . . . . 0.0 108.756 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -63.84 164.01 23.1 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 CA-C-N 119.936 1.013 . . . . 0.0 112.168 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 52' ' ' ILE . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.33 0.586 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.0 165.04 54.18 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -43.36 155.44 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 120.942 1.095 . . . . 0.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 147.73 66.41 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.72 163.21 31.34 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 120.535 0.823 . . . . 0.0 111.755 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 21' ' ' THR . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.28 160.03 53.5 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.41 134.54 55.72 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.414 1.41 . . . . 0.0 112.485 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -81.3 150.01 66.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -62.12 166.59 12.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 120.582 0.855 . . . . 0.0 112.214 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 ' H ' ' HG2' ' A' ' 43' ' ' MET . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 52' ' ' ILE . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.524 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.03 53.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -48.08 151.03 4.42 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.246 1.298 . . . . 0.0 111.917 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.0 m -80.15 149.32 69.4 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -59.47 166.54 7.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.422 0.748 . . . . 0.0 111.623 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 96' ' ' VAL . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 30' ' ' ASN . 8.7 p30 -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.697 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.494 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' SER . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HB3' HE21 ' A' ' 64' ' ' GLN . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 52' ' ' ILE . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 83' ' ' LEU . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.412 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 80' ' ' PHE . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 21' ' ' THR . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' HH12 ' A' ' 108' ' ' ARG . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' HH11 ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mtp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.55 162.51 54.29 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -48.21 147.06 8.79 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.108 1.205 . . . . 0.0 111.932 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' H ' HG22 ' A' ' 4' ' ' VAL . 8.0 m -81.98 145.91 54.35 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.092 -1.005 . . . . 0.0 109.86 -179.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -51.22 168.38 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.647 0.898 . . . . 0.0 111.779 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 83' ' ' LEU . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' SER . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HG2' ' NH1' ' A' ' 111' ' ' ARG . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.62 51.92 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -54.53 168.95 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 CA-C-N 118.132 0.966 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.16 149.85 66.95 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.099 . . . . 0.0 109.213 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -64.77 164.47 24.14 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 120.82 1.013 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' OH ' HD21 ' A' ' 10' ' ' LEU . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 65' ' ' ARG . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 86' ' ' ARG . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.27 178.7 30.19 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.1 Cg_exo -47.03 -178.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.016 1.144 . . . . 0.0 111.972 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.3 m -78.54 145.48 67.56 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.928 -1.108 . . . . 0.0 109.307 -179.478 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -62.82 165.96 15.03 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 120.679 0.919 . . . . 0.0 112.123 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.646 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.646 ' NE2' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 52' ' ' ILE . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' SER . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 21' ' ' THR . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 106' ' ' LEU . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.339 0.59 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.37 161.8 53.38 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.23 -179.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 120.973 1.116 . . . . 0.0 111.805 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 4' ' ' VAL . 5.2 m -81.16 141.23 49.85 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.124 -0.985 . . . . 0.0 109.549 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.96 167.2 1.19 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 CA-C-N 119.564 0.88 . . . . 0.0 111.888 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' H ' ' HG2' ' A' ' 43' ' ' MET . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 52' ' ' ILE . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 83' ' ' LEU . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.528 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.595 HD12 ' CD1' ' A' ' 80' ' ' PHE . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.06 169.55 48.83 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -46.62 173.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.173 1.249 . . . . 0.0 111.667 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.7 m -79.98 144.74 59.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.25 166.39 14.96 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 120.561 0.84 . . . . 0.0 112.236 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 21' ' ' THR . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.64 166.55 51.39 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.87 152.27 13.99 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.271 1.314 . . . . 0.0 112.637 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 4' ' ' VAL . 8.0 m -82.51 150.25 62.87 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.857 . . . . 0.0 108.96 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -60.01 167.26 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 120.538 0.825 . . . . 0.0 112.419 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 21' ' ' THR . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 HG13 ' A' ' 20' ' ' ILE . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.402 HD22 ' HE1' ' A' ' 80' ' ' PHE . 11.0 m120 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.467 ' H ' ' HB2' ' A' ' 79' ' ' GLN . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' HB2' ' H ' ' A' ' 76' ' ' SER . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 80' ' ' PHE . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 89' ' ' LYS . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 88' ' ' THR . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.04 165.21 50.64 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.25 164.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 120.868 1.045 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 4' ' ' VAL . 4.5 m -80.67 149.56 68.04 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.07 -1.018 . . . . 0.0 109.324 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -54.23 164.59 2.65 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 119.293 0.783 . . . . 0.0 111.798 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.544 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.469 0.112 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 92' ' ' VAL . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 HE21 ' A' ' 64' ' ' GLN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.472 HE21 HD13 ' A' ' 51' ' ' LEU . 64.6 mm-40 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.546 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 83' ' ' LEU . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' SER . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 106' ' ' LEU . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.495 1.582 0 CA-C-O 120.542 0.143 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 20' ' ' ILE . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.727 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 52' ' ' ILE . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 83' ' ' LEU . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.535 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.494 1.522 0 CA-C-O 120.554 0.148 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.438 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CB ' HE22 ' A' ' 64' ' ' GLN . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 HE22 ' CB ' ' A' ' 51' ' ' LEU . 70.8 mm-40 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 65' ' ' ARG . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.626 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.626 HD12 ' CD1' ' A' ' 80' ' ' PHE . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 106' ' ' LEU . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 N--CA 1.494 1.553 0 N-CA-C 111.729 -0.143 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG13 HG23 ' A' ' 21' ' ' THR . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 52' ' ' ILE . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.524 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 83' ' ' LEU . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 21' ' ' THR . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.494 1.519 0 CA-C-O 120.606 0.169 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 43' ' ' MET . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.512 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.407 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 106' ' ' LEU . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.673 0.197 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 21' ' ' THR . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 HG13 ' A' ' 20' ' ' ILE . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.63 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.594 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.594 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 52' ' ' ILE . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 80' ' ' PHE . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.63 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 111' ' ' ARG . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.493 1.444 0 CA-C-O 120.816 0.257 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CB ' HE22 ' A' ' 64' ' ' GLN . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 52' ' ' ILE . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.502 HE22 ' CB ' ' A' ' 51' ' ' LEU . 78.8 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.608 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.476 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 32' ' ' SER . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 N--CA 1.492 1.39 0 CA-C-O 120.635 0.181 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.426 HG13 HG23 ' A' ' 21' ' ' THR . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 HG23 HG13 ' A' ' 20' ' ' ILE . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 ' H ' ' HG2' ' A' ' 43' ' ' MET . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.4 HD21 HD11 ' A' ' 83' ' ' LEU . 86.0 m-20 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.599 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.621 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' SER . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo . . . . . 0 N--CA 1.495 1.59 0 CA-C-O 120.595 0.165 . . . . 0.0 112.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.437 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.599 ' CB ' ' HE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' HE2' ' CB ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.476 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 106' ' ' LEU . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.491 1.346 0 CA-C-O 120.66 0.192 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.5 HG21 HG11 ' A' ' 96' ' ' VAL . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.5 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.445 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD11 ' A' ' 83' ' ' LEU . 81.7 m-20 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 83' ' ' LEU . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.574 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 85' ' ' VAL . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 88' ' ' THR . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' SER . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 21' ' ' THR . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.494 1.513 0 CA-C-O 120.691 0.205 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 20' ' ' ILE . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.469 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.634 ' CD1' HD12 ' A' ' 83' ' ' LEU . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.634 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 108' ' ' ARG . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 111' ' ' ARG . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 CA-C-O 120.761 0.234 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 28' ' ' LEU . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 24' ' ' GLN . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.586 ' NE1' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HB3' HE21 ' A' ' 64' ' ' GLN . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.586 ' NZ ' ' NE1' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 N--CA 1.492 1.396 0 N-CA-C 111.495 -0.233 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.49 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.536 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 60' ' ' ILE . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 80' ' ' PHE . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 108' ' ' ARG . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.613 ' ND2' ' N ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.8 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 92' ' ' VAL . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' MET . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.492 ' HG2' ' H ' ' A' ' 40' ' ' THR . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 75' ' ' VAL . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 32' ' ' SER . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.492 1.408 0 CA-C-O 120.605 0.169 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HE21 ' A' ' 64' ' ' GLN . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CD1' HD12 ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.559 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 101' ' ' LEU . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.4 m120 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 CA-C-O 120.642 0.184 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' OE1' ' A' ' 24' ' ' GLN . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.442 ' H ' ' HG2' ' A' ' 43' ' ' MET . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 90' ' ' ILE . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.497 1.713 0 CA-C-O 120.658 0.191 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.487 ' H ' ' HG2' ' A' ' 43' ' ' MET . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.606 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 111' ' ' ARG . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.567 0.153 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.447 HG21 HG11 ' A' ' 96' ' ' VAL . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.62 ' CG ' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 67' ' ' LEU . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 83' ' ' LEU . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 88' ' ' THR . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 21' ' ' THR . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo . . . . . 0 N--CA 1.493 1.488 0 CA-C-O 120.444 0.102 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 20' ' ' ILE . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.405 ' CG ' HD22 ' A' ' 83' ' ' LEU . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' HE22 ' A' ' 64' ' ' GLN . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.554 HD21 HD11 ' A' ' 83' ' ' LEU . 99.0 m-20 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' A' ' 51' ' ' LEU . 52.6 mm-40 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 83' ' ' LEU . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.537 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 80' ' ' PHE . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.492 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.559 0.149 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.542 ' N ' HD22 ' A' ' 23' ' ' ASN . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 52' ' ' ILE . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo . . . . . 0 N--CA 1.491 1.372 0 CA-C-O 120.659 0.191 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 21' ' ' THR . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.62 0.175 . . . . 0.0 112.214 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' N ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' HD22 ' A' ' 23' ' ' ASN . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 ' H ' ' HG2' ' A' ' 43' ' ' MET . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 52' ' ' ILE . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.524 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 CA-C-O 120.706 0.211 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 96' ' ' VAL . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.531 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.697 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.494 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' SER . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HB3' HE21 ' A' ' 64' ' ' GLN . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 52' ' ' ILE . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 83' ' ' LEU . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.412 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 80' ' ' PHE . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 21' ' ' THR . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' HH12 ' A' ' 108' ' ' ARG . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' HH11 ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 N--CA 1.493 1.465 0 N-CA-C 111.779 -0.124 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 83' ' ' LEU . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' SER . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HG2' ' NH1' ' A' ' 111' ' ' ARG . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo . . . . . 0 N--CA 1.494 1.543 0 CA-C-O 120.677 0.199 . . . . 0.0 112.301 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' OH ' HD21 ' A' ' 10' ' ' LEU . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 65' ' ' ARG . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 86' ' ' ARG . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.744 0.227 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.496 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.722 ' NE2' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 52' ' ' ILE . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' SER . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 21' ' ' THR . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 106' ' ' LEU . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.551 0.146 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.432 ' H ' ' HG2' ' A' ' 43' ' ' MET . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 52' ' ' ILE . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 83' ' ' LEU . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.528 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.595 HD12 ' CD1' ' A' ' 80' ' ' PHE . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.493 1.483 0 CA-C-O 120.763 0.235 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.521 ' N ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 21' ' ' THR . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo . . . . . 0 N--CA 1.493 1.494 0 CA-C-O 120.768 0.237 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 21' ' ' THR . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 HG13 ' A' ' 20' ' ' ILE . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' ' CD2' ' A' ' 83' ' ' LEU . 93.6 m-20 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 51' ' ' LEU . 47.6 mm-40 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.467 ' H ' ' HB2' ' A' ' 79' ' ' GLN . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.467 ' HB2' ' H ' ' A' ' 76' ' ' SER . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 89' ' ' LYS . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 88' ' ' THR . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.546 0.144 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.544 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.6 mtm . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.356 0.598 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.93 165.72 54.67 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -49.65 174.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.392 1.395 . . . . 0.0 111.828 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 4' ' ' VAL . 35.5 m -79.56 127.43 78.25 Favored Pre-proline 0 N--CA 1.486 1.346 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -54.24 169.23 0.73 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 CA-C-N 120.201 1.108 . . . . 0.0 111.825 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -68.63 -50.29 0.67 Allowed 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 121.057 1.171 . . . . 0.0 112.326 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.5 p -60.62 -37.01 80.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.626 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -68.28 -40.08 81.94 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.241 -0.912 . . . . 0.0 109.162 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.83 97.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -0.884 . . . . 0.0 109.54 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.32 -47.95 82.02 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -0.915 . . . . 0.0 109.14 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -59.99 -42.11 93.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.105 -0.997 . . . . 0.0 108.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -39.76 95.4 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.402 -0.811 . . . . 0.0 108.887 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -69.31 -46.3 67.44 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.398 -0.813 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.57 -49.85 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.99 -41.54 92.26 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.065 -1.022 . . . . 0.0 111.341 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -69.95 -42.9 72.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.782 -1.198 . . . . 0.0 109.976 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.79 -41.03 99.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 109.834 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.61 -40.71 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 109.744 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -59.99 -40.96 90.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.336 -0.852 . . . . 0.0 111.816 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 pt -80.03 -20.12 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.792 -1.192 . . . . 0.0 112.386 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.0 p -97.58 -22.04 16.73 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.517 -1.365 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -75.18 -35.06 61.61 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.943 -1.098 . . . . 0.0 110.208 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -97.43 10.81 38.75 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.167 -0.958 . . . . 0.0 110.489 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 4.1 pp0? -82.98 122.79 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.792 -1.193 . . . . 0.0 110.236 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -81.41 -35.01 31.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 108.595 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.28 163.62 38.47 Favored Pre-proline 0 N--CA 1.494 1.741 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 26.8 Cg_exo -41.84 134.15 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 120.872 1.048 . . . . 0.0 111.84 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.76 -44.49 96.79 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.222 -0.924 . . . . 0.0 109.538 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.8 m -84.09 171.58 12.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.315 -0.866 . . . . 0.0 109.497 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.63 46.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.223 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.16 21.66 79.57 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 92' ' ' VAL . 69.7 m -62.0 138.55 58.39 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.337 -1.096 . . . . 0.0 109.407 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.8 mtm -112.32 154.3 25.9 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.89 160.85 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.466 -0.771 . . . . 0.0 110.083 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -73.02 137.64 45.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.631 -0.668 . . . . 0.0 110.034 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.9 p -70.0 150.04 47.09 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.6 pt -131.27 160.97 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.423 -0.798 . . . . 0.0 109.721 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.65 126.32 33.26 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -78.41 103.6 8.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.158 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.559 ' O ' ' N ' ' A' ' 42' ' ' GLY . 81.0 p -140.77 167.7 21.54 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -29.18 -34.35 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.879 -0.513 . . . . 0.0 112.355 -178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 40' ' ' THR . . . -92.35 38.59 3.15 Favored Glycine 0 N--CA 1.498 2.817 0 O-C-N 120.687 -1.258 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' THR . 38.2 mtm -60.7 -46.73 89.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.774 -1.427 . . . . 0.0 110.394 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.0 -43.54 95.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.221 -0.924 . . . . 0.0 110.796 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 40.4 m -68.1 -49.52 60.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.021 -1.049 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -47.19 83.53 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.372 -0.83 . . . . 0.0 110.38 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.06 91.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.981 -1.074 . . . . 0.0 110.179 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.91 -50.08 75.16 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.244 -0.91 . . . . 0.0 111.08 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.6 pt-20 -59.64 -40.02 86.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.702 -1.249 . . . . 0.0 110.642 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.3 m -61.37 -39.98 92.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.716 -1.24 . . . . 0.0 109.044 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD13 HE21 ' A' ' 64' ' ' GLN . 88.0 mt -70.01 -34.56 73.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.395 -0.816 . . . . 0.0 109.88 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.4 mm -51.58 -12.18 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.028 -1.045 . . . . 0.0 108.867 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 51' ' ' LEU . 95.9 m-20 -85.12 -16.39 40.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.198 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.54 121.11 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 109.327 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -129.14 149.79 50.8 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 109.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.16 -6.34 78.61 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.5 m -96.11 98.07 10.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.117 -1.225 . . . . 0.0 109.557 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -65.41 -39.93 92.78 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.319 -0.863 . . . . 0.0 110.217 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.85 -28.59 2.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 0.0 111.58 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.6 pt -103.13 -1.84 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.829 -1.169 . . . . 0.0 111.618 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -59.93 -44.42 94.36 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.386 -1.446 . . . . 0.0 108.234 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -62.6 -40.02 95.61 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.134 -0.979 . . . . 0.0 108.42 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -60.03 -41.45 92.25 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.472 HE21 HD13 ' A' ' 51' ' ' LEU . 64.6 mm-40 -60.24 -43.33 96.18 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.486 -0.759 . . . . 0.0 109.602 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -63.72 -48.51 76.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.978 -1.076 . . . . 0.0 109.618 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 76.1 mtm -61.78 -42.03 98.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.7 -40.23 96.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.846 -1.159 . . . . 0.0 109.255 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.324 -0.86 . . . . 0.0 108.987 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.34 -29.85 31.33 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -93.87 -13.72 26.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.232 -1.158 . . . . 0.0 110.266 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -143.16 94.37 6.31 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 120.985 -1.072 . . . . 0.0 110.358 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -60.14 36.79 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.41 1.407 . . . . 0.0 111.81 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.572 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.9 OUTLIER -89.98 103.48 16.14 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 111.003 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -80.35 92.42 5.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.4 t -98.47 133.97 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.259 -0.901 . . . . 0.0 110.285 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 78' ' ' GLY . 8.8 t -100.93 156.62 17.28 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 109.352 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -2.4 0.15 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.0 109.786 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -108.44 -29.78 4.08 Favored Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -90.64 129.92 36.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.153 -1.204 . . . . 0.0 109.925 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.34 144.92 51.6 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.495 -0.753 . . . . 0.0 109.603 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 28.7 m -121.79 -47.7 2.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 111.611 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.546 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.3 t -96.38 -9.47 29.9 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.782 -1.199 . . . . 0.0 112.438 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HD12 ' A' ' 83' ' ' LEU . 11.0 mp -81.49 29.91 0.36 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.536 -1.352 . . . . 0.0 108.99 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -74.43 -40.46 61.95 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.257 -0.902 . . . . 0.0 110.361 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.1 m -75.77 148.09 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.168 -0.958 . . . . 0.0 109.209 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -90.06 66.45 6.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 109.306 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -85.19 175.19 9.12 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.0 p -90.68 160.97 15.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.161 -0.962 . . . . 0.0 109.128 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -89.23 152.79 21.38 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.402 -0.812 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.5 pt -130.03 160.57 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.494 -0.754 . . . . 0.0 110.258 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.89 142.15 58.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.428 -0.795 . . . . 0.0 109.819 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' SER . 54.7 t -59.08 -40.02 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.704 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.44 -40.82 68.73 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.95 -1.094 . . . . 0.0 109.705 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -75.3 -32.56 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.205 -0.934 . . . . 0.0 108.897 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -59.97 -49.57 77.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.377 -0.827 . . . . 0.0 109.092 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.8 t -61.04 -44.26 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.405 -0.809 . . . . 0.0 109.782 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.413 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 61.7 mttp -60.02 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.915 . . . . 0.0 109.806 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -60.0 -41.31 91.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.068 -1.02 . . . . 0.0 109.11 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.0 -35.05 79.09 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 0.0 109.101 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.26 -40.0 73.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.369 -0.832 . . . . 0.0 111.171 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -42.87 95.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.671 -1.268 . . . . 0.0 109.287 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.94 -39.09 76.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 111.014 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -55.1 -57.95 9.64 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.351 -1.468 . . . . 0.0 110.483 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -66.53 -19.96 65.91 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.631 -1.293 . . . . 0.0 110.298 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -66.48 -48.14 70.82 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.049 -1.032 . . . . 0.0 110.617 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 106' ' ' LEU . 4.4 mm? -61.68 -28.66 69.56 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.894 -1.129 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.87 -40.01 87.21 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.201 -0.937 . . . . 0.0 109.405 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -59.98 -39.84 87.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.253 -0.904 . . . . 0.0 109.638 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -87.68 -10.63 50.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.911 -1.118 . . . . 0.0 110.008 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.16 9.5 54.34 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 111' ' ' ARG . 36.3 mtt-85 -94.28 94.54 8.37 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.028 -1.278 . . . . 0.0 108.468 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -87.82 162.79 16.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.454 -0.779 . . . . 0.0 110.346 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.0 109.626 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.239 0.542 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.47 166.25 52.99 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -49.65 150.24 9.2 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.188 1.259 . . . . 0.0 112.14 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.4 142.29 46.59 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.91 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -67.78 162.41 39.65 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 120.585 0.857 . . . . 0.0 111.838 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -65.25 -45.99 6.56 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.498 1.466 . . . . 0.0 113.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.1 p -60.2 -39.99 88.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.0 110.018 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 m -69.96 -41.51 74.42 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.297 -0.877 . . . . 0.0 110.486 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.058 -1.026 . . . . 0.0 109.879 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.4 tp -64.96 -44.52 89.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.971 -1.08 . . . . 0.0 109.487 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -60.18 -42.98 96.16 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.61 -39.69 95.02 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.543 -0.723 . . . . 0.0 109.412 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.4 -43.73 72.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.373 -0.829 . . . . 0.0 110.253 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.91 -44.73 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.063 -1.023 . . . . 0.0 110.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.23 -40.06 88.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.217 -0.927 . . . . 0.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -70.22 -44.83 67.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.006 -1.059 . . . . 0.0 110.274 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.24 -48.69 80.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.071 -1.018 . . . . 0.0 109.716 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.96 -42.59 95.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.434 -0.791 . . . . 0.0 109.519 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.99 -46.38 89.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.342 -0.849 . . . . 0.0 111.395 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 20' ' ' ILE . 10.6 pt -79.92 -16.39 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.952 -1.093 . . . . 0.0 111.992 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -99.53 -19.66 16.78 Favored 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.687 -1.258 . . . . 0.0 111.118 -178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -78.63 -29.05 45.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.475 -1.391 . . . . 0.0 109.765 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -99.25 9.52 43.22 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.325 -0.859 . . . . 0.0 110.582 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 15.4 pt20 -86.12 127.64 34.74 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.869 -1.145 . . . . 0.0 110.058 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -87.85 -80.4 0.27 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.37 164.46 45.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 21.1 Cg_exo -44.5 143.32 3.95 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 120.552 0.835 . . . . 0.0 111.528 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.1 -46.24 90.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.114 -0.991 . . . . 0.0 109.456 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' GLY . 93.7 m -84.05 168.71 15.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.318 -0.864 . . . . 0.0 109.524 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -67.11 40.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.952 . . . . 0.0 109.739 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 84.23 21.55 56.63 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.8 m -65.73 153.27 42.24 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.23 -1.159 . . . . 0.0 109.997 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.8 mtp -117.92 158.13 25.45 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.26 159.99 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.415 -0.803 . . . . 0.0 110.019 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.96 133.62 44.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.426 -0.796 . . . . 0.0 109.762 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -70.19 151.55 45.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 pt -134.49 164.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.157 -0.964 . . . . 0.0 110.456 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -88.91 118.61 28.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.727 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -79.66 115.0 19.01 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.01 -1.056 . . . . 0.0 109.204 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 63.6 p -143.95 -99.29 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.259 -0.901 . . . . 0.0 109.544 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -110.1 -68.87 0.9 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.465 -0.772 . . . . 0.0 109.996 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.51 41.15 0.18 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ALA . 65.3 mtm -60.37 -40.34 90.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.204 -1.174 . . . . 0.0 109.442 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.09 -46.66 88.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.458 -0.776 . . . . 0.0 109.351 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.4 m -64.68 -53.08 53.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.531 -0.731 . . . . 0.0 109.933 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.2 -48.04 83.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 110.203 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.35 89.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.022 -1.049 . . . . 0.0 109.978 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.11 -49.93 75.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 110.753 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.9 pt-20 -59.66 -37.58 79.13 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.536 -1.353 . . . . 0.0 109.816 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 t -64.44 -42.36 96.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.905 -1.122 . . . . 0.0 109.564 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 53' ' ' ASN . 92.1 mt -69.96 -34.91 74.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 109.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 52' ' ' ILE . 12.6 mm -51.65 -15.71 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.99 -1.069 . . . . 0.0 108.753 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 51' ' ' LEU . 98.5 m-20 -85.44 -21.65 28.65 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.049 -1.032 . . . . 0.0 109.169 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' LEU . 58.1 t -93.58 120.25 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.182 -0.949 . . . . 0.0 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.9 m -129.59 150.4 50.94 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.299 -0.876 . . . . 0.0 110.258 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.13 -9.24 75.23 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.7 m -93.7 92.07 7.32 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.002 -1.293 . . . . 0.0 109.001 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -60.05 -36.74 77.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.385 -0.822 . . . . 0.0 109.629 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.99 -20.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.501 -0.75 . . . . 0.0 111.263 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.9 pt -128.18 -4.53 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 120.974 -1.079 . . . . 0.0 109.754 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.0 -44.24 94.67 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.5 -39.07 92.32 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.34 -0.85 . . . . 0.0 108.781 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -60.01 -39.78 86.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.445 -0.784 . . . . 0.0 109.728 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.77 -40.05 86.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.922 -1.111 . . . . 0.0 109.562 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -66.7 -42.11 86.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.055 . . . . 0.0 109.257 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.11 -40.03 86.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 0.0 110.208 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.44 -39.67 88.35 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.95 -1.093 . . . . 0.0 108.679 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 m -58.55 -39.75 81.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.319 -0.863 . . . . 0.0 108.973 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.3 -28.0 26.04 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -92.66 -12.28 31.95 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.351 -1.088 . . . . 0.0 110.099 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.588 ' O ' ' N ' ' A' ' 73' ' ' HIS . 15.2 t -143.5 99.21 5.31 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.018 -1.051 . . . . 0.0 110.258 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -57.58 39.17 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.644 1.562 . . . . 0.0 112.875 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -89.55 109.76 20.68 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.018 -1.051 . . . . 0.0 111.951 -177.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.92 75.65 10.1 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.87 124.74 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.345 -0.847 . . . . 0.0 111.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 99.6 p -98.49 171.81 7.92 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -8.88 7.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.083 -1.01 . . . . 0.0 109.755 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.4 -29.06 7.25 Favored Glycine 0 N--CA 1.497 2.725 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -88.6 128.02 35.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.218 -1.166 . . . . 0.0 110.059 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 83' ' ' LEU . 89.8 m-85 -130.37 140.03 50.62 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.541 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 5.6 m -121.42 -22.67 5.88 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 121.387 -0.821 . . . . 0.0 110.932 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 9.0 t -118.6 -6.81 10.66 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 121.001 -1.062 . . . . 0.0 111.832 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.8 mt -86.74 26.78 1.06 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.571 -1.331 . . . . 0.0 110.382 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' NE2' ' O ' ' A' ' 81' ' ' SER . 12.3 m-70 -74.48 -38.9 62.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.818 -1.176 . . . . 0.0 109.284 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.5 p -77.59 156.01 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.427 -0.796 . . . . 0.0 109.236 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.535 HH11 ' CG ' ' A' ' 86' ' ' ARG . 6.0 mtt-85 -93.59 69.28 4.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.205 -0.934 . . . . 0.0 109.686 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -82.89 170.07 15.37 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.312 -0.867 . . . . 0.0 108.759 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.7 p -91.61 158.12 16.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.8 -1.187 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -87.38 151.8 22.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.306 -0.872 . . . . 0.0 109.672 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.4 pt -132.08 160.29 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.487 -0.758 . . . . 0.0 109.695 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.33 146.57 54.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.7 -40.41 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.369 -0.832 . . . . 0.0 109.619 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.56 -42.47 55.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.05 -1.031 . . . . 0.0 109.749 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -74.92 -39.88 61.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.209 -0.932 . . . . 0.0 110.173 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -59.95 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.224 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.3 -46.06 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.772 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.05 -45.9 91.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -59.92 -42.31 93.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.884 -1.135 . . . . 0.0 109.186 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.22 -39.96 92.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.395 -0.816 . . . . 0.0 109.572 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.2 tp -56.43 -42.62 78.38 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.223 -0.923 . . . . 0.0 111.257 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.0 mm? -60.37 -41.11 93.07 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.368 -1.458 . . . . 0.0 109.733 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -70.36 -39.99 74.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.892 -1.13 . . . . 0.0 111.466 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.94 -50.07 75.2 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.484 -1.385 . . . . 0.0 110.199 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.52 -27.95 65.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.059 -1.026 . . . . 0.0 110.649 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -64.87 -46.29 82.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.051 -1.03 . . . . 0.0 110.879 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.56 -30.32 70.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.899 -1.126 . . . . 0.0 109.663 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.02 -40.02 87.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.988 -1.07 . . . . 0.0 109.04 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.21 -36.56 77.96 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.95 -16.04 48.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.062 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.93 4.87 56.48 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -93.15 103.3 15.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.044 -1.268 . . . . 0.0 108.603 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -95.89 130.0 42.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.607 -0.683 . . . . 0.0 109.798 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.372 -0.83 . . . . 0.0 109.108 -179.675 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.316 0.579 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.63 175.06 38.04 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -47.01 164.56 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.974 1.116 . . . . 0.0 111.861 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.2 m -80.23 149.56 69.53 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 0.0 109.994 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -68.43 163.52 36.29 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 120.698 0.932 . . . . 0.0 112.111 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -55.14 -44.23 51.36 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.159 1.24 . . . . 0.0 112.668 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.5 p -60.29 -39.92 88.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.239 -0.913 . . . . 0.0 109.763 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.2 m -69.37 -40.07 77.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 0.0 109.628 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.32 98.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.581 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.87 -49.41 77.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.0 -42.04 93.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.952 . . . . 0.0 109.075 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.74 -39.99 95.64 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.357 -0.839 . . . . 0.0 109.349 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 tp -70.11 -42.94 71.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.448 -0.782 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.99 -47.91 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.949 -1.094 . . . . 0.0 109.99 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 110.105 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -70.81 -41.7 71.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.116 -0.99 . . . . 0.0 110.665 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.12 -43.81 95.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.663 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.81 -40.51 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 121.12 -0.988 . . . . 0.0 109.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.96 -44.28 94.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.431 -0.793 . . . . 0.0 111.773 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -77.6 -18.46 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.882 -1.137 . . . . 0.0 111.858 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.3 p -100.27 -18.21 16.94 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 120.772 -1.205 . . . . 0.0 111.348 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -81.97 -32.16 30.85 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.467 -1.395 . . . . 0.0 110.668 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -98.01 6.73 47.31 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.076 -1.015 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -81.7 133.38 35.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.847 -1.158 . . . . 0.0 110.193 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -86.31 -79.96 0.24 Allowed 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.49 162.43 56.02 Favored Pre-proline 0 N--CA 1.489 1.495 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 10.4 Cg_exo -46.77 147.07 4.94 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 120.747 0.965 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.26 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.896 -1.128 . . . . 0.0 109.539 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' ' 31' ' ' GLY . 44.9 m -85.86 168.32 14.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.384 -0.822 . . . . 0.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.74 39.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 109.491 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.3 22.84 62.02 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.2 m -65.03 150.02 48.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.378 -1.072 . . . . 0.0 110.094 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mmm -110.82 155.57 22.36 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -130.02 160.14 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.251 -0.905 . . . . 0.0 109.708 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -72.02 129.72 39.23 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.37 -0.831 . . . . 0.0 110.258 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -70.87 148.81 47.41 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -136.86 167.98 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.181 -0.949 . . . . 0.0 109.622 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -86.21 124.1 32.23 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -81.79 115.71 21.13 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.167 -0.958 . . . . 0.0 109.328 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.7 p -142.85 -101.29 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.26 -0.9 . . . . 0.0 109.469 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.69 -59.99 1.94 Allowed 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.404 -0.81 . . . . 0.0 110.272 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.05 34.59 0.4 Allowed Glycine 0 N--CA 1.496 2.635 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 41' ' ' ALA . 61.4 mtm -60.02 -39.04 84.46 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -1.164 . . . . 0.0 109.76 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -59.88 -46.73 88.39 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.549 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.588 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 57.8 m -70.0 -52.19 26.22 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 109.847 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.75 91.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.162 -0.962 . . . . 0.0 109.478 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.77 92.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.141 -0.974 . . . . 0.0 109.379 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.98 -51.19 70.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.362 -0.836 . . . . 0.0 111.225 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.84 -37.19 78.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.756 -1.215 . . . . 0.0 109.886 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 t -64.03 -39.95 95.23 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.155 -0.966 . . . . 0.0 108.778 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' CB ' HE22 ' A' ' 64' ' ' GLN . 91.8 mt -70.02 -33.34 71.88 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.485 -0.759 . . . . 0.0 110.379 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.8 mm -53.03 -15.65 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.02 -1.05 . . . . 0.0 109.391 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -83.49 -16.5 45.4 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 109.081 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.63 119.95 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.393 -0.817 . . . . 0.0 109.274 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.9 m -129.33 151.58 49.81 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.31 -9.91 76.23 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.26 89.17 5.83 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.974 -1.309 . . . . 0.0 109.402 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.7 t -63.38 -36.81 84.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 109.346 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -12.57 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.602 -0.687 . . . . 0.0 111.769 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 pt -129.37 2.41 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 O-C-N 120.856 -1.153 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.03 -42.99 95.59 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 108.411 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.01 -38.89 90.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -0.898 . . . . 0.0 108.884 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -58.22 -38.09 76.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 0.0 109.438 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.447 HE22 ' CB ' ' A' ' 51' ' ' LEU . 70.8 mm-40 -59.99 -40.44 89.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 65' ' ' ARG . 57.3 mtt-85 -65.94 -44.07 86.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.132 -0.98 . . . . 0.0 109.953 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -64.65 -40.04 94.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.18 -39.44 92.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.107 -0.995 . . . . 0.0 108.878 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' CYS . 58.0 m -58.27 -38.97 78.02 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.346 -0.846 . . . . 0.0 108.807 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.05 -31.31 18.09 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -92.9 -11.49 33.29 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.227 -1.16 . . . . 0.0 108.417 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 36.2 m -138.55 79.32 29.78 Favored Pre-proline 0 N--CA 1.498 1.954 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -64.33 6.13 0.34 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.546 1.497 . . . . 0.0 114.096 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 27.1 p80 -89.92 138.13 31.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.53 -1.356 . . . . 0.0 109.172 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.55 145.56 38.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.496 -0.752 . . . . 0.0 110.564 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -130.0 130.01 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -103.41 151.86 22.29 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.363 -0.836 . . . . 0.0 109.34 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.56 -12.04 8.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.051 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.55 -31.94 6.53 Favored Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -88.97 124.8 34.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.304 -1.115 . . . . 0.0 109.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.626 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.2 m-85 -129.78 147.63 51.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -121.76 -42.29 2.42 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.46 -0.775 . . . . 0.0 111.147 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -99.93 -1.79 36.34 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.018 -1.051 . . . . 0.0 112.053 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD12 ' CD1' ' A' ' 80' ' ' PHE . 21.5 mt -87.09 26.82 1.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.483 -1.386 . . . . 0.0 109.361 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -75.84 -36.34 59.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.172 -0.955 . . . . 0.0 109.359 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.0 m -75.56 149.82 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.847 . . . . 0.0 109.765 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.8 66.45 6.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.357 -0.84 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -84.29 169.88 14.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.3 p -92.45 155.58 17.76 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.22 -0.925 . . . . 0.0 108.81 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -85.63 156.94 20.49 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.167 -0.958 . . . . 0.0 109.89 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -133.13 165.2 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.42 -0.8 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.61 140.4 58.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.406 -0.809 . . . . 0.0 110.685 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 53.6 t -60.01 -42.73 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.385 -0.822 . . . . 0.0 109.985 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.68 -43.98 69.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.887 -1.133 . . . . 0.0 110.01 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -74.58 -31.37 62.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.117 -0.99 . . . . 0.0 108.949 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -59.98 -46.92 87.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.399 -0.813 . . . . 0.0 109.079 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.39 -46.42 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -60.11 -48.08 83.2 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.167 -0.958 . . . . 0.0 110.622 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.03 -40.07 88.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.54 -1.35 . . . . 0.0 108.949 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.52 -39.83 94.83 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.17 -44.0 78.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.436 -0.79 . . . . 0.0 111.299 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.276 -1.515 . . . . 0.0 109.573 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -72.14 -37.08 69.49 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.576 -1.328 . . . . 0.0 110.632 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.02 -49.99 75.49 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.448 -1.408 . . . . 0.0 110.02 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -68.15 -28.18 67.07 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.949 -1.095 . . . . 0.0 110.648 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -63.66 -45.7 88.92 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.044 -1.035 . . . . 0.0 110.753 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -61.72 -29.72 70.29 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.035 -1.04 . . . . 0.0 110.115 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -60.1 -38.72 83.81 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.934 -1.104 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 108' ' ' ARG . 33.2 mtt-85 -60.07 -39.96 87.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 110.23 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -85.22 -10.19 56.88 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.854 -1.154 . . . . 0.0 110.233 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . 70.61 2.99 47.07 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 106' ' ' LEU . 98.9 mtt180 -94.42 107.73 19.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.156 -1.202 . . . . 0.0 108.249 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 110' ' ' GLY . 59.4 m-85 -98.28 123.75 42.53 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.471 -0.768 . . . . 0.0 110.233 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.443 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 56.5 p30 . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.344 -0.847 . . . . 0.0 109.59 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.84 168.8 49.38 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -45.69 154.3 0.66 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.588 1.525 . . . . 0.0 112.413 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.18 141.3 49.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -51.52 170.55 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 120.627 0.884 . . . . 0.0 111.729 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -68.63 -50.37 0.65 Allowed 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.049 1.166 . . . . 0.0 111.739 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 95.0 p -63.37 -38.54 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.675 -0.641 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -68.01 -40.08 83.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.087 -1.008 . . . . 0.0 109.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -47.51 85.55 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.06 -47.88 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.241 -0.912 . . . . 0.0 109.28 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -59.89 -46.0 90.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.165 -0.959 . . . . 0.0 109.156 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.9 -37.36 86.64 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.143 -0.973 . . . . 0.0 109.064 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.98 -42.94 72.45 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.083 -1.011 . . . . 0.0 110.014 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -64.2 -44.47 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.024 -1.048 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -40.4 88.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.184 -0.948 . . . . 0.0 110.142 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -72.0 -42.38 66.49 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.132 -0.98 . . . . 0.0 110.167 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.44 -44.23 96.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.929 -1.107 . . . . 0.0 109.874 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -66.08 -40.06 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.278 -0.889 . . . . 0.0 110.056 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -60.02 -41.61 92.56 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.305 -0.872 . . . . 0.0 111.533 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG13 HG23 ' A' ' 21' ' ' THR . 45.8 pt -77.79 -17.68 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.965 -1.084 . . . . 0.0 111.78 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.485 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 70.3 p -102.49 -10.62 19.2 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.943 -1.098 . . . . 0.0 111.19 -179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.55 -46.23 9.75 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.752 -1.217 . . . . 0.0 111.073 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -101.08 27.98 5.67 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.251 -0.905 . . . . 0.0 111.018 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.6 pm0 -80.52 131.21 35.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.984 -1.073 . . . . 0.0 110.241 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.26 -79.42 0.32 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.243 -0.911 . . . . 0.0 109.288 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 159.1 77.46 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.207 -0.933 . . . . 0.0 108.491 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.4 159.51 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 120.567 0.845 . . . . 0.0 111.911 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.54 -37.45 86.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.42 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -145.06 175.24 10.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.296 -0.877 . . . . 0.0 109.225 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -67.08 55.29 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.973 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.93 29.13 69.5 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.1 m -60.38 147.63 40.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.111 -1.229 . . . . 0.0 108.747 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.8 mtp -128.83 153.07 47.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.417 -0.802 . . . . 0.0 109.173 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.94 162.32 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.446 -0.784 . . . . 0.0 109.756 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -73.48 132.49 42.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.416 -0.803 . . . . 0.0 109.414 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -70.05 143.4 52.5 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 pt -129.9 168.23 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.313 -0.867 . . . . 0.0 109.807 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.62 125.18 34.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.17 111.77 16.85 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.16 -0.963 . . . . 0.0 109.172 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.5 p -143.25 -120.02 0.09 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.212 -0.93 . . . . 0.0 109.86 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.98 -76.08 0.43 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.119 -0.988 . . . . 0.0 111.09 -178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.41 44.73 0.1 Allowed Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.5 mtm -63.74 -39.23 93.79 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -1.153 . . . . 0.0 109.952 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -56.83 -49.39 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 109.833 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 87.3 m -67.76 -48.31 66.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.033 -1.042 . . . . 0.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.89 84.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.41 83.15 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.957 -1.09 . . . . 0.0 109.115 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.02 -50.14 74.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.0 110.772 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.2 pt-20 -59.37 -39.67 84.07 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.697 -1.252 . . . . 0.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.059 -1.025 . . . . 0.0 108.929 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.46 -39.3 77.84 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.874 . . . . 0.0 110.164 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 52' ' ' ILE . 26.9 mm -52.84 -15.13 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.074 -1.016 . . . . 0.0 109.505 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.09 -15.99 42.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.985 -1.072 . . . . 0.0 109.225 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.1 t -92.2 121.03 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.967 . . . . 0.0 109.008 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -128.49 149.16 50.7 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -12.96 66.47 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.2 m -97.19 99.28 10.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -69.51 -39.34 77.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.264 -0.897 . . . . 0.0 109.967 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.92 -30.52 2.58 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.487 -0.758 . . . . 0.0 111.686 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.6 pt -100.4 -8.07 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.301 0 O-C-N 120.719 -1.238 . . . . 0.0 111.34 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.86 -42.2 93.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.677 -1.264 . . . . 0.0 109.357 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.05 -39.85 93.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.073 -1.017 . . . . 0.0 108.654 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.7 m -59.98 -40.11 87.99 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.528 -0.732 . . . . 0.0 109.905 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.47 -40.76 92.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.034 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.85 -43.27 99.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 110.131 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 72.5 mtm -64.35 -40.06 95.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.26 -38.58 87.22 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.327 -0.858 . . . . 0.0 109.296 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.0 m -57.5 -39.34 76.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 0.0 109.195 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.01 -30.38 16.16 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -93.32 -12.07 30.91 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.288 -1.125 . . . . 0.0 108.324 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 57.9 m -133.65 75.3 68.76 Favored Pre-proline 0 N--CA 1.492 1.663 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -50.66 -1.86 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.443 1.428 . . . . 0.0 113.889 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.524 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 15.6 p80 -99.89 119.53 38.35 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.002 -1.061 . . . . 0.0 109.331 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -75.89 139.49 41.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.463 -0.773 . . . . 0.0 109.217 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.0 t -109.94 130.02 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.413 -0.805 . . . . 0.0 110.042 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.8 p -91.63 162.6 14.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.599 -0.688 . . . . 0.0 109.399 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.54 -6.7 2.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.381 -0.825 . . . . 0.0 109.504 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -102.92 -24.89 7.82 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -92.14 121.9 34.12 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -1.197 . . . . 0.0 110.491 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 83' ' ' LEU . 84.4 m-85 -130.27 141.64 50.6 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.374 -0.829 . . . . 0.0 109.61 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.528 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 73.3 m -122.6 -30.02 3.96 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.398 -0.814 . . . . 0.0 111.852 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.55 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 25.3 t -108.36 -2.13 19.4 Favored 'General case' 0 N--CA 1.51 2.546 0 O-C-N 120.666 -1.272 . . . . 0.0 111.927 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.5 mp -86.26 24.21 1.4 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.69 -1.256 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -75.47 -37.25 60.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.074 -1.016 . . . . 0.0 109.256 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -76.31 149.36 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 86' ' ' ARG . 43.3 mtm-85 -89.96 64.29 6.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.891 -1.131 . . . . 0.0 109.064 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.87 169.88 15.6 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.4 -0.812 . . . . 0.0 109.193 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.7 p -93.6 164.14 13.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.51 152.72 21.68 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.258 -0.901 . . . . 0.0 109.031 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.53 163.71 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.52 -0.737 . . . . 0.0 109.539 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.69 147.57 53.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.114 -0.991 . . . . 0.0 109.776 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.82 -40.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.3 -0.875 . . . . 0.0 109.551 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.62 61.98 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -76.29 -35.89 58.65 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.139 -0.976 . . . . 0.0 109.15 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.89 -49.56 77.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.253 -0.904 . . . . 0.0 110.014 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 21' ' ' THR . 95.3 t -62.42 -46.16 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.18 -49.47 77.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.962 -1.086 . . . . 0.0 110.731 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -59.96 -40.08 87.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.904 -1.122 . . . . 0.0 108.928 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.32 -36.07 82.0 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.58 -0.7 . . . . 0.0 109.539 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.6 -41.68 81.71 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.267 -0.896 . . . . 0.0 110.594 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.98 -45.22 93.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.746 -1.221 . . . . 0.0 109.797 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -68.57 -39.78 80.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.001 . . . . 0.0 111.171 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.1 mt -56.65 -55.4 34.55 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.306 -1.496 . . . . 0.0 110.107 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -69.85 -19.88 63.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.739 -1.225 . . . . 0.0 110.748 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.88 -47.36 83.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.805 -1.184 . . . . 0.0 110.084 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.7 mm? -61.71 -29.82 70.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.85 -1.156 . . . . 0.0 109.262 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.7 -39.14 83.58 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.084 -1.01 . . . . 0.0 109.444 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -60.09 -38.76 83.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.357 -0.84 . . . . 0.0 109.377 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -86.68 -7.05 58.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.043 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.32 11.02 38.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -93.02 99.21 11.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.086 -1.243 . . . . 0.0 108.847 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -95.16 132.56 39.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.64 -0.663 . . . . 0.0 109.663 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.277 -0.89 . . . . 0.0 109.314 -179.705 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptp . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.311 0.577 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.0 165.81 54.71 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.401 -1.479 . . . . 0.0 109.401 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -47.19 138.79 16.57 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 121.13 1.22 . . . . 0.0 111.767 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.1 m -80.74 151.75 71.45 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -61.08 163.63 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 120.595 0.864 . . . . 0.0 112.24 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -61.84 -49.47 6.79 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.373 1.382 . . . . 0.0 113.475 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.24 -39.63 87.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.2 m -69.25 -40.53 77.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.09 -1.007 . . . . 0.0 110.521 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.05 95.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.006 -1.059 . . . . 0.0 110.108 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.05 -48.61 81.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -59.98 -40.18 88.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.9 -41.18 95.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.463 -0.773 . . . . 0.0 109.293 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.3 tp -71.67 -43.88 65.26 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.522 -0.736 . . . . 0.0 110.207 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -49.97 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.835 -1.166 . . . . 0.0 110.63 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -60.02 -40.02 87.88 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.127 -0.983 . . . . 0.0 110.292 -179.009 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -69.79 -46.46 65.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.999 -1.063 . . . . 0.0 109.931 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.49 -40.6 97.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.991 -1.068 . . . . 0.0 109.857 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.71 -43.93 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.0 -43.44 95.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.331 -0.856 . . . . 0.0 111.416 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 pt -77.46 -20.25 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.917 -1.115 . . . . 0.0 112.141 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.3 p -96.53 -26.14 15.38 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.563 -1.336 . . . . 0.0 110.441 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -76.74 -32.02 57.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.899 -1.126 . . . . 0.0 110.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -101.48 18.67 19.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.303 -0.873 . . . . 0.0 110.794 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -82.95 131.8 35.17 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.692 -1.255 . . . . 0.0 110.297 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -87.58 -79.6 0.28 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.19 -0.944 . . . . 0.0 108.621 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.14 160.9 67.28 Favored Pre-proline 0 N--CA 1.491 1.587 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 9.8 Cg_exo -49.69 158.86 1.72 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 120.413 0.742 . . . . 0.0 111.885 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.03 -16.32 63.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.209 -0.932 . . . . 0.0 109.954 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' GLY . 81.7 m -146.08 166.68 25.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.163 -0.96 . . . . 0.0 109.459 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -66.39 47.58 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.341 -0.849 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.06 31.89 46.26 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 m -60.38 139.62 57.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -1.186 . . . . 0.0 109.72 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.0 mmm -108.6 144.99 35.58 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.604 -0.685 . . . . 0.0 109.258 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.34 160.0 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.303 -0.873 . . . . 0.0 110.063 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -75.87 132.5 40.36 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.803 . . . . 0.0 110.196 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.0 p -69.97 155.29 40.8 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 pt -136.0 165.61 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 110.013 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.12 118.75 25.78 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.9 mm? -79.31 110.21 14.39 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.148 -0.97 . . . . 0.0 109.234 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 43' ' ' MET . 51.2 p -142.53 -100.95 0.13 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.296 -0.878 . . . . 0.0 109.596 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -110.31 -64.48 1.26 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.411 -0.805 . . . . 0.0 109.9 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.65 40.44 0.24 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.512 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.3 mtm -61.9 -40.81 96.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.299 -1.118 . . . . 0.0 109.992 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -60.24 -48.34 82.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 110.158 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -68.68 -48.8 63.02 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 110.113 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.56 94.66 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.56 89.87 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.904 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.99 -50.05 75.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.114 -0.991 . . . . 0.0 110.459 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 82' ' ' SER . 7.8 pt-20 -58.48 -40.07 81.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.658 -1.276 . . . . 0.0 109.476 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 m -64.42 -41.81 96.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.948 -1.095 . . . . 0.0 109.315 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.05 -30.35 67.6 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.329 -0.857 . . . . 0.0 109.972 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.5 mm -56.09 -18.2 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.126 -0.984 . . . . 0.0 109.366 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -85.71 -11.0 54.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.03 -1.044 . . . . 0.0 109.17 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -90.49 120.03 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.337 -0.852 . . . . 0.0 109.327 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -129.34 146.54 51.2 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.466 -0.771 . . . . 0.0 109.733 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.07 72.2 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.1 m -95.06 88.87 5.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.851 -1.382 . . . . 0.0 109.102 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ILE . 14.5 t -69.96 -30.51 67.89 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.237 -0.914 . . . . 0.0 109.516 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.31 -14.33 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.328 -0.857 . . . . 0.0 110.468 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' SER . 27.3 pt -127.08 7.68 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.211 0 O-C-N 121.218 -0.926 . . . . 0.0 111.127 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.8 pt-20 -60.0 -40.69 90.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.452 -1.405 . . . . 0.0 108.461 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 96.5 mttt -62.26 -40.0 94.76 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.6 m -60.66 -39.96 90.31 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.427 -0.796 . . . . 0.0 109.676 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.0 -48.21 82.63 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.133 -0.979 . . . . 0.0 111.042 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -66.8 -39.98 87.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.628 -1.295 . . . . 0.0 109.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -63.03 -39.93 96.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.837 -1.165 . . . . 0.0 109.566 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.06 -39.97 91.89 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.865 -1.147 . . . . 0.0 109.128 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' CYS . 56.4 m -56.63 -35.92 68.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.325 -0.859 . . . . 0.0 109.253 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.52 -30.0 12.32 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -96.91 -6.5 35.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -1.068 . . . . 0.0 109.237 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.614 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 14.7 t -134.07 78.46 59.18 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -52.27 -18.44 7.69 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.445 1.43 . . . . 0.0 114.346 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 11.1 p80 -93.56 111.56 23.26 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.699 -1.25 . . . . 0.0 109.335 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -76.7 139.5 40.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.913 . . . . 0.0 109.731 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.52 138.39 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.462 -0.774 . . . . 0.0 109.778 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.0 m -93.28 157.82 16.06 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.33 -6.39 3.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.158 -0.964 . . . . 0.0 109.523 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.52 -36.09 4.17 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -88.67 121.51 31.13 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.207 -1.172 . . . . 0.0 109.522 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.05 141.4 49.79 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 34.2 m -120.86 -39.21 2.75 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.368 -0.832 . . . . 0.0 111.727 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.407 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 8.0 t -100.34 -7.65 24.24 Favored 'General case' 0 N--CA 1.507 2.409 0 O-C-N 120.843 -1.161 . . . . 0.0 112.365 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.5 mp -85.61 27.93 0.8 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.564 -1.335 . . . . 0.0 110.385 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.95 -37.75 61.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.77 -1.206 . . . . 0.0 109.17 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.88 150.57 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.477 -0.765 . . . . 0.0 109.863 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 40.5 mtt-85 -90.01 70.04 7.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.119 -0.988 . . . . 0.0 109.39 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.48 172.07 12.78 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 121.481 0.658 . . . . 0.0 109.437 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.3 m -92.95 153.04 19.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.462 -0.774 . . . . 0.0 109.321 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -85.17 150.15 25.02 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.079 -1.013 . . . . 0.0 109.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.3 pt -131.3 160.03 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.448 -0.783 . . . . 0.0 109.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.33 147.42 52.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.213 -0.929 . . . . 0.0 109.882 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.5 t -59.99 -40.37 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 0.0 110.18 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.37 59.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.108 -0.995 . . . . 0.0 110.39 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -76.1 -31.4 58.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.003 . . . . 0.0 109.18 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 34.0 t80 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.6 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.302 -0.874 . . . . 0.0 109.708 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -61.85 -46.98 87.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.127 -0.983 . . . . 0.0 110.169 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.06 -40.13 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.472 -1.393 . . . . 0.0 109.104 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.37 -38.38 90.83 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.44 -0.788 . . . . 0.0 109.187 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 tp -55.92 -43.21 77.15 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.429 -0.794 . . . . 0.0 110.607 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.03 -45.75 91.79 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.014 -1.054 . . . . 0.0 109.717 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -69.35 -40.02 77.76 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 111.148 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.42 -55.38 32.36 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.419 -1.426 . . . . 0.0 110.57 -178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -67.74 -20.04 65.19 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.862 -1.149 . . . . 0.0 110.696 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -68.06 -42.2 80.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.924 -1.11 . . . . 0.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -63.65 -27.65 69.37 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.009 -1.057 . . . . 0.0 109.243 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.06 -39.08 84.78 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.175 -0.953 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -60.01 -39.97 87.63 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.283 -0.886 . . . . 0.0 109.971 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -87.63 -12.91 44.17 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.027 -1.045 . . . . 0.0 110.022 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.81 6.49 59.69 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 106' ' ' LEU . 97.9 mtt180 -92.24 102.07 14.57 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -93.0 119.99 32.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.415 -0.803 . . . . 0.0 110.586 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' OXT' ' O ' ' A' ' 41' ' ' ALA . 33.6 m120 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.571 -0.706 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mtp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.55 174.99 37.88 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -47.4 173.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.371 0 C-N-CA 121.282 1.322 . . . . 0.0 112.364 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -80.16 148.37 67.31 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 0.0 108.592 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.47 166.45 3.51 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 120.575 0.85 . . . . 0.0 112.463 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -64.87 -43.09 12.98 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.208 1.272 . . . . 0.0 112.236 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 p -60.74 -39.96 90.61 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.276 -0.89 . . . . 0.0 108.884 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -69.97 -40.0 75.64 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 110.159 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.5 94.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.217 -0.927 . . . . 0.0 109.001 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.77 -48.97 78.28 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.346 -0.846 . . . . 0.0 109.21 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -59.92 -43.25 95.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.922 -1.111 . . . . 0.0 109.356 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -60.34 -39.39 86.94 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 tp -70.0 -42.86 72.47 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.569 -0.707 . . . . 0.0 109.459 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.91 -49.35 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.916 -1.115 . . . . 0.0 110.448 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.96 -40.61 89.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 110.781 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -70.64 -42.89 70.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.914 -1.116 . . . . 0.0 110.006 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.71 -43.77 98.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.0 -1.063 . . . . 0.0 109.202 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.44 -43.18 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.441 -0.787 . . . . 0.0 110.406 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -59.89 -40.65 89.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.12 . . . . 0.0 111.498 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.44 HG13 HG23 ' A' ' 21' ' ' THR . 46.7 pt -78.57 -21.66 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.933 -1.104 . . . . 0.0 112.183 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 HG13 ' A' ' 20' ' ' ILE . 72.9 p -97.48 -19.48 18.37 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.7 -1.25 . . . . 0.0 111.21 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.9 -33.37 62.01 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.67 -1.268 . . . . 0.0 110.1 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -99.76 6.15 45.51 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.127 -0.983 . . . . 0.0 111.456 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -84.19 127.62 34.05 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.384 -1.447 . . . . 0.0 109.936 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -86.68 -77.76 0.31 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.018 -1.051 . . . . 0.0 108.332 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.03 153.46 74.86 Favored Pre-proline 0 N--CA 1.491 1.6 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -42.39 150.32 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 120.665 0.91 . . . . 0.0 111.591 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.17 -48.04 81.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 109.852 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.515 ' C ' ' H ' ' A' ' 31' ' ' GLY . 95.6 m -84.29 168.29 15.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.229 -0.919 . . . . 0.0 109.761 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -67.8 38.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 109.273 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 88.68 20.0 49.41 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.8 m -60.26 141.46 56.04 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.355 -1.085 . . . . 0.0 109.707 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 mtp -110.1 155.97 21.2 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.5 160.08 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.399 -0.813 . . . . 0.0 109.882 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.63 ' CH2' ' NZ ' ' A' ' 89' ' ' LYS . 96.2 m95 -73.33 128.08 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.376 -0.827 . . . . 0.0 110.151 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.1 p -70.25 151.65 45.09 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.7 pt -139.04 169.74 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.199 -0.938 . . . . 0.0 109.91 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -87.29 122.7 31.41 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.49 118.95 22.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.344 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 81.5 p -144.33 -101.01 0.11 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.594 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.55 -60.69 1.84 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.427 -0.796 . . . . 0.0 110.138 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.92 32.64 0.18 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.594 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.1 mtm -60.29 -39.13 85.83 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.414 -1.05 . . . . 0.0 110.094 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.4 -49.89 76.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.873 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.43 -48.84 59.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.052 -1.03 . . . . 0.0 109.521 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.03 -48.41 81.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.131 -0.98 . . . . 0.0 109.693 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.89 85.25 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.931 -1.106 . . . . 0.0 109.291 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.1 -50.24 74.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 111.204 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.99 -39.89 87.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.589 -1.32 . . . . 0.0 109.795 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 m -60.39 -40.13 89.79 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.068 -1.02 . . . . 0.0 108.884 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.97 -38.52 76.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.349 -0.845 . . . . 0.0 110.295 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 52' ' ' ILE . 22.6 mm -54.42 -14.54 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.019 -1.05 . . . . 0.0 109.908 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.84 -14.42 54.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.961 -1.087 . . . . 0.0 108.849 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.2 t -92.45 122.76 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.513 -0.742 . . . . 0.0 109.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.3 m -128.66 155.73 44.55 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.463 -0.773 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.0 75.32 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.6 m -99.22 93.99 6.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.413 -1.051 . . . . 0.0 109.932 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.9 t -69.84 -32.47 70.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.53 -31.17 45.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.276 -0.89 . . . . 0.0 111.431 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.4 pt -102.22 -3.92 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 O-C-N 120.875 -1.141 . . . . 0.0 111.775 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -40.34 89.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.408 -1.432 . . . . 0.0 108.828 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' HH21 ' A' ' 65' ' ' ARG . 98.4 mttt -63.06 -39.74 95.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.867 . . . . 0.0 108.954 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.0 m -58.75 -39.79 81.95 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.447 -0.783 . . . . 0.0 109.225 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.12 -40.62 90.38 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.326 -0.859 . . . . 0.0 110.357 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 HH21 ' HG2' ' A' ' 62' ' ' LYS . 83.0 mtm180 -65.73 -43.83 87.85 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.827 -1.171 . . . . 0.0 110.004 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 74.2 mtm -63.52 -40.18 96.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.063 -1.023 . . . . 0.0 109.334 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.84 -37.48 87.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.0 108.703 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.4 m -58.28 -39.85 80.36 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.11 -30.24 16.57 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.91 -4.09 40.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.316 -1.108 . . . . 0.0 109.324 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 21.3 t -136.77 81.39 34.61 Favored Pre-proline 0 N--CA 1.499 1.978 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -51.77 -22.24 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.376 1.384 . . . . 0.0 114.169 -178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.5 p80 -94.01 113.07 24.98 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.767 -1.208 . . . . 0.0 109.714 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -80.09 145.08 32.61 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.009 -1.057 . . . . 0.0 109.583 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.0 136.0 48.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.12 0 O-C-N 121.44 -0.787 . . . . 0.0 109.692 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -92.6 164.24 13.49 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.247 -0.908 . . . . 0.0 110.38 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.508 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -63.57 -19.86 65.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.508 -0.745 . . . . 0.0 109.626 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.11 -37.64 7.67 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -95.12 133.14 39.26 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.212 -1.17 . . . . 0.0 110.332 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 83' ' ' LEU . 79.1 m-85 -130.6 149.62 52.18 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 72.9 m -120.33 -24.56 5.87 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.407 -0.808 . . . . 0.0 111.094 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.5 t -118.38 -0.48 11.46 Favored 'General case' 0 N--CA 1.508 2.47 0 O-C-N 120.949 -1.094 . . . . 0.0 111.31 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 80' ' ' PHE . 24.5 mt -90.26 25.66 2.14 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.69 -1.256 . . . . 0.0 110.598 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 7.9 m-70 -77.61 -39.15 46.35 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.79 -1.194 . . . . 0.0 108.974 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.66 148.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.586 -0.696 . . . . 0.0 109.463 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.17 74.24 7.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.292 -0.88 . . . . 0.0 109.867 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -84.63 170.55 13.24 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 m -90.49 146.09 24.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.084 -1.01 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.63 ' NZ ' ' CH2' ' A' ' 35' ' ' TRP . 46.4 mttp -82.02 152.62 26.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.7 pt -133.26 163.51 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.392 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.01 147.36 53.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.312 -0.867 . . . . 0.0 109.881 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -59.73 -44.19 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.249 -0.907 . . . . 0.0 109.853 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.21 -41.42 65.29 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.116 -0.99 . . . . 0.0 110.207 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -75.13 -36.18 61.64 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.105 -0.997 . . . . 0.0 108.694 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -60.06 -47.14 87.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.531 -0.731 . . . . 0.0 109.464 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.86 -44.81 99.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 0.0 110.565 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.35 -46.06 91.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.967 -1.083 . . . . 0.0 110.126 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.4 -40.45 90.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.924 -1.11 . . . . 0.0 108.688 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.5 -38.47 90.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.505 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.62 -43.13 84.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.38 -0.825 . . . . 0.0 110.985 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.5 mm? -60.05 -44.5 94.64 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.573 -1.33 . . . . 0.0 109.517 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -69.53 -38.96 77.75 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.16 -0.962 . . . . 0.0 111.253 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.0 mt -58.01 -53.69 55.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.372 -1.455 . . . . 0.0 110.623 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -69.35 -19.7 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.564 -1.335 . . . . 0.0 110.289 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -66.4 -47.08 74.46 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.044 -1.035 . . . . 0.0 111.223 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -60.54 -24.6 65.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.703 -1.248 . . . . 0.0 109.505 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.85 -37.93 80.67 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.075 -1.016 . . . . 0.0 109.579 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.25 -39.89 88.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 59.0 mp0 -86.08 -11.35 52.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.943 -1.098 . . . . 0.0 110.231 -179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.02 57.86 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 111' ' ' ARG . 56.1 mtt-85 -94.46 93.79 7.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.95 -1.323 . . . . 0.0 108.374 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -89.6 134.9 33.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.403 -0.811 . . . . 0.0 110.319 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.419 -0.801 . . . . 0.0 109.616 179.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.08 161.26 53.2 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -48.38 175.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.182 1.255 . . . . 0.0 112.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.77 151.42 67.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.379 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -59.54 166.84 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 120.494 0.796 . . . . 0.0 112.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -62.71 -51.88 2.78 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.466 1.444 . . . . 0.0 112.97 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -60.23 -39.97 88.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.315 -0.866 . . . . 0.0 110.45 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -69.69 -40.11 76.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.091 -1.006 . . . . 0.0 109.896 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.52 93.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.214 -0.929 . . . . 0.0 109.86 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.411 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -60.03 -43.81 95.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.001 -1.062 . . . . 0.0 108.903 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -63.26 -39.87 95.82 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.478 -0.764 . . . . 0.0 109.426 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.66 -44.97 72.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.82 . . . . 0.0 109.92 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.2 -50.0 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.098 -1.001 . . . . 0.0 109.697 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.41 -41.19 93.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.402 -0.811 . . . . 0.0 111.057 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.96 -42.37 73.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.976 -1.077 . . . . 0.0 110.696 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.96 -42.15 98.8 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.978 -1.076 . . . . 0.0 109.918 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.53 -40.0 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.24 -0.912 . . . . 0.0 110.139 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.7 -44.86 93.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.226 -0.921 . . . . 0.0 111.211 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.5 pt -78.28 -16.75 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.111 -0.993 . . . . 0.0 112.138 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.6 p -99.28 -20.8 16.37 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.669 -1.269 . . . . 0.0 111.446 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -73.74 -38.46 64.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.461 -1.399 . . . . 0.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -91.52 0.53 57.49 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.172 -0.955 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 2.7 pp0? -82.62 131.35 35.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.7 -1.25 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 88.0 tttt -87.06 -76.49 0.36 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -89.35 161.82 38.83 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 16.9 Cg_exo -43.07 146.46 0.94 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 120.716 0.944 . . . . 0.0 111.719 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.63 -39.96 95.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLY . 96.6 m -83.85 172.71 11.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 109.804 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -67.46 41.91 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.35 -0.844 . . . . 0.0 109.439 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.93 25.33 64.71 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.0 m -65.11 147.54 53.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -1.202 . . . . 0.0 109.973 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.9 mtp -109.84 158.73 17.87 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.483 -0.76 . . . . 0.0 109.0 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -132.25 159.97 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.236 -0.915 . . . . 0.0 109.688 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -76.39 130.23 37.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.681 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -69.36 150.25 47.51 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 pt -132.13 168.72 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.53 -0.731 . . . . 0.0 110.007 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -89.0 121.33 31.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.63 117.83 21.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.031 -1.043 . . . . 0.0 109.919 -178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' A' ' 43' ' ' MET . 28.1 p -143.85 -116.02 0.1 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.354 -0.841 . . . . 0.0 109.366 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.83 -40.05 7.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.04 -1.037 . . . . 0.0 110.138 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.43 37.42 3.23 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.477 ' HG2' ' H ' ' A' ' 40' ' ' THR . 59.1 mtm -60.05 -44.95 94.33 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -1.186 . . . . 0.0 110.071 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -60.83 -43.1 98.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 57.0 m -67.34 -54.26 22.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.946 -1.096 . . . . 0.0 108.811 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.07 90.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.597 -0.69 . . . . 0.0 110.303 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.34 88.63 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.095 -1.003 . . . . 0.0 110.059 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.92 -50.97 71.67 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.131 -0.981 . . . . 0.0 110.921 -178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.9 pt-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.693 -1.254 . . . . 0.0 110.588 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 73.9 m -60.27 -39.97 88.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.953 -1.092 . . . . 0.0 109.59 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CB ' HE22 ' A' ' 64' ' ' GLN . 96.6 mt -68.33 -37.32 80.43 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.277 -0.889 . . . . 0.0 109.971 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 52' ' ' ILE . 24.8 mm -54.1 -10.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.23 -0.919 . . . . 0.0 109.829 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -84.36 -19.83 32.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.909 -1.12 . . . . 0.0 109.412 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.28 120.15 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.23 -0.919 . . . . 0.0 109.972 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -118.63 150.38 39.8 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.649 -0.657 . . . . 0.0 109.761 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.94 42.08 7.31 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.36 89.11 2.06 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.263 -1.14 . . . . 0.0 109.698 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -71.73 -22.96 61.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.338 -0.851 . . . . 0.0 109.682 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -39.73 70.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.612 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.6 pt -100.86 8.81 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.988 -1.07 . . . . 0.0 111.743 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 16.3 pt-20 -60.02 -43.7 95.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.384 -1.447 . . . . 0.0 108.529 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 52.8 mtmt -62.87 -39.4 94.34 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -58.8 -37.71 76.97 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.446 -0.784 . . . . 0.0 109.427 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.502 HE22 ' CB ' ' A' ' 51' ' ' LEU . 78.8 mm-40 -59.92 -43.61 94.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.093 -1.004 . . . . 0.0 109.529 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -64.45 -47.36 79.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.229 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.24 -40.02 94.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.158 -0.964 . . . . 0.0 110.243 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.98 -40.09 92.09 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.972 -1.08 . . . . 0.0 108.287 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.99 -39.99 87.6 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.44 15.38 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -95.78 -17.17 21.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.034 -1.274 . . . . 0.0 109.098 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -141.02 91.32 8.99 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -60.04 37.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 121.574 1.516 . . . . 0.0 111.582 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.608 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -89.81 103.03 15.73 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.335 -0.853 . . . . 0.0 110.781 -177.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -80.25 92.02 5.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -94.39 135.33 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.929 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 19.2 m -103.92 159.0 16.02 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.478 -0.764 . . . . 0.0 109.059 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.92 -3.57 0.8 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -107.49 -31.26 3.79 Favored Glycine 0 N--CA 1.498 2.822 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.03 123.3 35.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.125 -1.221 . . . . 0.0 110.188 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -130.7 150.03 52.08 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.434 -0.791 . . . . 0.0 109.623 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.512 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 17.2 m -122.24 -49.66 2.04 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.483 -0.761 . . . . 0.0 111.686 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.476 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.0 t -96.79 4.9 51.49 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.763 -1.211 . . . . 0.0 112.12 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.9 mm? -86.15 11.09 12.63 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.521 -1.362 . . . . 0.0 110.364 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.2 m-70 -76.58 -18.25 58.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.859 -1.151 . . . . 0.0 109.689 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.6 m -76.98 146.78 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.296 -0.878 . . . . 0.0 109.976 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 86' ' ' ARG . 54.4 mtt-85 -94.73 51.36 1.39 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.247 -0.908 . . . . 0.0 109.565 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -83.42 171.69 13.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.33 -0.856 . . . . 0.0 109.604 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.7 m -91.55 149.96 21.42 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.06 -1.025 . . . . 0.0 108.739 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -82.87 155.91 23.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.156 -0.965 . . . . 0.0 109.84 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.2 pt -131.46 162.19 39.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.617 -0.677 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.37 145.11 56.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.452 -0.78 . . . . 0.0 110.08 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 32' ' ' SER . 54.3 t -59.19 -40.22 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 0.0 109.56 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.23 -41.63 60.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.189 -0.944 . . . . 0.0 109.897 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -73.89 -37.8 64.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.074 -1.016 . . . . 0.0 108.772 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.97 -49.8 76.26 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.525 -0.734 . . . . 0.0 110.214 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.08 -48.48 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.597 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -62.19 -44.7 96.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.287 -0.883 . . . . 0.0 110.611 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.01 -41.22 91.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.352 -1.467 . . . . 0.0 109.168 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.4 tp -64.4 -37.43 87.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.44 -0.788 . . . . 0.0 109.178 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -56.24 -45.56 79.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.449 -0.782 . . . . 0.0 110.797 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.5 mm? -59.98 -40.1 87.97 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.526 -1.359 . . . . 0.0 109.833 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -70.08 -39.02 75.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.694 -1.254 . . . . 0.0 110.81 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.21 -48.67 80.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.488 -1.383 . . . . 0.0 110.37 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -67.97 -24.02 65.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.609 -1.307 . . . . 0.0 110.079 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.02 -46.57 74.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.154 -0.966 . . . . 0.0 111.314 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.0 mm? -60.06 -30.06 68.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.61 -1.306 . . . . 0.0 109.551 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.05 -37.55 80.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.074 -1.016 . . . . 0.0 109.918 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -40.0 87.71 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 110.083 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 54.5 mp0 -86.45 -10.34 54.41 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.999 -1.063 . . . . 0.0 109.971 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.46 13.29 58.18 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.71 100.07 12.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.103 -1.234 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -94.74 135.93 35.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.352 -0.843 . . . . 0.0 109.878 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.522 -179.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.341 0.591 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.98 171.39 53.89 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.0 Cg_exo -50.98 -171.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.216 1.277 . . . . 0.0 112.167 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 4' ' ' VAL . 17.1 m -80.71 140.35 51.03 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.316 -0.865 . . . . 0.0 108.989 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -59.1 166.38 7.25 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 119.882 0.993 . . . . 0.0 112.082 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -67.14 -50.93 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 121.291 1.327 . . . . 0.0 112.514 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.0 p -61.37 -36.21 79.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.041 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.5 m -69.85 -41.35 75.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.974 -1.079 . . . . 0.0 109.937 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.34 97.07 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.798 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.7 -45.02 95.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -59.89 -44.39 94.27 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.29 -40.0 92.53 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.51 -46.42 66.59 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.592 -0.693 . . . . 0.0 110.44 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.57 -50.04 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.778 -1.201 . . . . 0.0 110.905 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.45 -40.41 91.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.063 -1.023 . . . . 0.0 111.101 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -70.18 -40.59 74.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.86 -1.15 . . . . 0.0 109.987 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.0 -46.0 92.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.019 -1.05 . . . . 0.0 109.793 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -61.76 -44.92 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.063 -1.023 . . . . 0.0 110.8 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.71 -44.2 93.82 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.963 -1.086 . . . . 0.0 111.832 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.426 HG13 HG23 ' A' ' 21' ' ' THR . 47.3 pt -76.4 -19.66 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.873 -1.142 . . . . 0.0 112.254 -177.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 HG23 HG13 ' A' ' 20' ' ' ILE . 75.4 p -99.44 -16.18 18.46 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.742 -1.224 . . . . 0.0 111.537 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -78.75 -29.94 45.44 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.367 -1.458 . . . . 0.0 109.91 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.46 -2.14 49.41 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.074 -1.016 . . . . 0.0 110.765 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.31 131.71 34.69 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.538 -1.352 . . . . 0.0 109.584 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -87.74 -79.33 0.29 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.53 157.9 74.29 Favored Pre-proline 0 N--CA 1.488 1.466 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -43.83 148.53 0.93 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 120.84 1.027 . . . . 0.0 111.631 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.03 -50.33 73.8 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.07 -1.019 . . . . 0.0 110.206 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 75.3 m -84.22 172.58 11.75 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 109.361 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -69.77 56.12 0.13 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.829 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 72.12 21.05 79.33 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 92' ' ' VAL . 42.7 m -60.09 143.51 51.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.033 -1.275 . . . . 0.0 109.117 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.0 mtp -114.54 159.67 20.13 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -130.97 162.96 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -72.84 132.43 43.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.26 -0.9 . . . . 0.0 110.413 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -71.22 143.73 50.34 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.0 pt -133.25 169.02 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 109.472 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -88.01 121.26 30.21 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.719 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -80.49 119.91 23.79 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.012 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 ' H ' ' HG2' ' A' ' 43' ' ' MET . 22.4 p -144.73 -103.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.534 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -112.72 -59.81 1.96 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.414 -0.804 . . . . 0.0 109.537 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.8 35.85 0.23 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.552 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.0 mtm -63.02 -39.39 94.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.436 -1.037 . . . . 0.0 110.721 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.04 -50.0 75.75 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.098 -1.001 . . . . 0.0 110.657 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.69 -45.71 67.69 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.974 -1.079 . . . . 0.0 109.96 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.69 80.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -0.917 . . . . 0.0 109.552 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.57 87.53 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.079 -1.013 . . . . 0.0 109.537 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.06 -49.79 76.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.075 -1.015 . . . . 0.0 111.075 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 82' ' ' SER . 8.4 pt-20 -59.24 -37.61 77.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.417 -1.427 . . . . 0.0 109.489 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -66.22 -41.24 90.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.966 -1.084 . . . . 0.0 109.49 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.9 -30.75 67.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.026 -1.046 . . . . 0.0 109.619 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mm -56.51 -21.4 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.182 -0.948 . . . . 0.0 109.23 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.4 HD21 HD11 ' A' ' 83' ' ' LEU . 86.0 m-20 -81.73 -12.98 58.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.089 . . . . 0.0 109.054 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -90.31 120.1 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.284 -0.885 . . . . 0.0 108.861 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -129.04 151.53 49.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.329 -0.857 . . . . 0.0 109.399 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.29 26.8 22.53 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -139.33 91.02 2.46 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.225 -1.162 . . . . 0.0 109.426 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 t -65.3 -35.42 80.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.405 -0.809 . . . . 0.0 110.063 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.28 -25.47 5.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.489 -0.757 . . . . 0.0 111.699 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.2 pt -108.69 -5.16 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 120.873 -1.142 . . . . 0.0 111.049 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.81 -40.72 89.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.694 -1.254 . . . . 0.0 108.693 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.89 -40.13 94.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.076 -1.015 . . . . 0.0 108.985 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -40.34 88.96 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.373 -0.83 . . . . 0.0 108.942 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.36 -41.53 97.23 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.052 -1.03 . . . . 0.0 108.827 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.17 -48.8 79.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.215 -0.928 . . . . 0.0 109.519 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.4 -40.5 96.72 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.002 -1.061 . . . . 0.0 109.125 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.72 -39.26 93.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 108.717 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 m -58.25 -38.85 77.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.07 39.04 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.03 1.9 52.96 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.096 -1.238 . . . . 0.0 109.047 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.602 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.6 t -132.16 79.18 67.16 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 109.234 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -53.32 10.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.594 1.529 . . . . 0.0 114.082 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.602 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 8.0 p80 -133.8 111.48 10.56 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.006 -1.059 . . . . 0.0 108.33 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -78.5 146.3 34.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.07 -1.019 . . . . 0.0 109.987 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.23 130.02 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.717 -0.615 . . . . 0.0 109.686 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 61.3 p -89.63 162.62 15.53 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.12 -9.9 8.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.417 -0.802 . . . . 0.0 110.028 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.87 -40.55 4.05 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -89.1 129.46 35.71 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.267 -1.137 . . . . 0.0 109.767 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.621 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.4 m-85 -129.34 146.92 51.14 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.524 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m -121.66 -47.01 2.22 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.321 -0.862 . . . . 0.0 111.444 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.599 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 47.2 t -95.86 -2.94 46.38 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.0 -1.063 . . . . 0.0 112.126 -177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.621 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.6 mt -85.59 26.02 0.99 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.523 -1.361 . . . . 0.0 109.023 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.6 m-70 -74.96 -39.93 61.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 109.653 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.44 146.86 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.0 109.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -92.53 64.76 4.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.26 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -84.28 170.24 13.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.9 p -88.91 159.92 17.44 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.989 -1.07 . . . . 0.0 109.45 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -86.38 158.51 19.62 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.13 -0.981 . . . . 0.0 109.528 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.4 pt -134.43 164.02 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.507 -0.745 . . . . 0.0 109.639 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.9 140.11 58.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.468 -0.77 . . . . 0.0 110.074 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' SER . 54.4 t -58.49 -41.76 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.429 -0.795 . . . . 0.0 109.43 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.75 -39.85 65.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.486 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -72.54 -38.45 68.01 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.71 -49.16 78.8 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.722 -0.611 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.32 -48.56 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 109.672 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -63.05 -43.99 97.1 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.957 . . . . 0.0 110.762 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.76 -40.18 87.29 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.371 -1.456 . . . . 0.0 107.593 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.14 -40.09 96.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.654 -0.653 . . . . 0.0 109.637 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.4 tp -53.78 -42.89 68.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.21 -0.931 . . . . 0.0 110.453 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.2 mm? -59.93 -40.0 87.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.498 -1.376 . . . . 0.0 109.507 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -70.7 -39.99 73.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.777 -1.202 . . . . 0.0 111.26 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.48 -49.19 78.24 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.394 -1.442 . . . . 0.0 110.16 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -66.51 -28.4 68.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.849 -1.157 . . . . 0.0 109.647 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -67.37 -47.57 70.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.115 -0.991 . . . . 0.0 110.876 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.75 -32.98 72.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.873 -1.142 . . . . 0.0 109.114 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.85 -40.15 87.62 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.368 -0.833 . . . . 0.0 110.38 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.35 -34.86 74.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.085 -1.009 . . . . 0.0 109.498 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.47 ' CD ' HH21 ' A' ' 111' ' ' ARG . 99.4 mt-10 -82.7 -15.44 51.9 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.098 -1.001 . . . . 0.0 109.745 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.28 3.02 29.29 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.47 HH21 ' CD ' ' A' ' 109' ' ' GLU . 82.0 mtm180 -92.02 96.93 10.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.162 -1.199 . . . . 0.0 108.522 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -92.51 139.22 30.8 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 109.597 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.85 . . . . 0.0 109.625 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.176 0.513 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.02 159.99 53.33 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -50.39 159.59 1.96 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.079 1.186 . . . . 0.0 111.878 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -80.28 148.34 66.78 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.473 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -70.53 162.67 41.62 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 120.955 1.103 . . . . 0.0 112.266 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.27 -43.57 56.21 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.476 1.451 . . . . 0.0 113.135 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -60.18 -39.61 87.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.18 -0.95 . . . . 0.0 109.541 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -68.3 -39.93 81.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.461 -0.775 . . . . 0.0 108.956 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.97 99.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.391 -0.818 . . . . 0.0 109.5 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.38 -46.08 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -0.982 . . . . 0.0 109.046 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -59.9 -42.56 94.09 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.46 -39.96 95.85 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -70.62 -46.87 62.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.897 . . . . 0.0 110.027 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.13 -49.62 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.954 -1.091 . . . . 0.0 110.054 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.95 -40.73 89.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 111.037 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.62 -46.14 63.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.702 -1.249 . . . . 0.0 110.844 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.37 -42.68 96.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.906 -1.121 . . . . 0.0 110.351 -178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.85 -42.6 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.174 -0.954 . . . . 0.0 110.385 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.04 -40.42 89.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.092 -1.005 . . . . 0.0 111.249 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.2 pt -78.37 -16.85 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 120.816 -1.178 . . . . 0.0 112.017 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.7 p -100.66 -18.0 16.75 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.697 -1.252 . . . . 0.0 110.883 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.04 -24.21 47.88 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.514 -1.366 . . . . 0.0 109.79 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -100.69 0.83 39.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.31 -0.869 . . . . 0.0 110.815 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 10.1 pt20 -86.13 120.93 28.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.523 -1.361 . . . . 0.0 109.93 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.33 -31.29 48.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.156 -0.965 . . . . 0.0 108.945 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -141.77 164.59 33.46 Favored Pre-proline 0 N--CA 1.495 1.79 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.7 Cg_exo -42.38 135.11 4.52 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 120.951 1.1 . . . . 0.0 111.941 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.789 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 31' ' ' GLY . 88.0 m -82.7 165.4 19.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.09 -1.006 . . . . 0.0 109.683 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -69.87 57.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.298 -0.876 . . . . 0.0 109.593 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.3 20.04 77.9 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 68.9 m -60.6 140.83 57.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.135 -1.215 . . . . 0.0 109.58 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.0 mtp -114.49 156.66 24.17 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.3 161.66 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.235 -0.916 . . . . 0.0 109.934 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -74.28 131.89 41.6 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.598 -0.689 . . . . 0.0 109.736 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.4 p -69.83 151.07 46.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.204 -0.935 . . . . 0.0 108.912 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.8 pt -134.56 163.65 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.295 -0.878 . . . . 0.0 110.003 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -87.69 123.14 32.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.718 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -81.29 112.56 18.71 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.952 -1.092 . . . . 0.0 109.632 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.437 ' H ' ' HG2' ' A' ' 43' ' ' MET . 36.3 p -145.87 -105.63 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.348 -0.845 . . . . 0.0 109.924 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -91.19 -79.92 0.35 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.878 . . . . 0.0 111.524 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.35 47.31 0.19 Allowed Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.0 mtm -61.79 -40.4 95.07 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.968 -1.313 . . . . 0.0 109.538 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -60.96 -48.48 81.62 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.354 -0.841 . . . . 0.0 109.957 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.599 ' CB ' ' HE2' ' A' ' 73' ' ' HIS . 91.3 m -66.5 -49.78 65.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.444 -0.785 . . . . 0.0 110.115 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.68 88.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.975 -1.078 . . . . 0.0 109.804 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.66 92.08 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.191 -0.943 . . . . 0.0 109.99 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.163 -0.96 . . . . 0.0 111.001 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.03 -39.88 83.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.673 -1.267 . . . . 0.0 109.6 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.3 m -60.03 -40.02 87.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.984 -1.073 . . . . 0.0 109.25 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.96 -39.51 79.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.283 -0.885 . . . . 0.0 109.948 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.0 mm -55.14 -16.27 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.209 -0.932 . . . . 0.0 109.867 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -84.98 -15.53 43.94 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.05 . . . . 0.0 109.434 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -91.31 119.89 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.275 -0.891 . . . . 0.0 109.201 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.3 m -120.48 151.1 39.8 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.379 -0.826 . . . . 0.0 109.888 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 34.64 10.09 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.1 m -145.15 89.59 1.96 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.068 -1.254 . . . . 0.0 109.013 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.0 t -63.04 -36.54 83.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.09 -1.006 . . . . 0.0 110.031 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.52 -24.75 5.58 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.431 -0.793 . . . . 0.0 112.109 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.54 -9.93 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.443 0 O-C-N 120.698 -1.251 . . . . 0.0 110.748 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.74 -1.225 . . . . 0.0 108.684 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.447 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 63.2 mttp -61.77 -39.86 93.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 108.694 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -39.46 85.56 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.697 -0.627 . . . . 0.0 109.449 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.85 -40.0 87.09 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.122 -0.986 . . . . 0.0 109.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 62' ' ' LYS . 81.8 mtm180 -62.55 -46.1 89.9 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.163 -0.961 . . . . 0.0 109.687 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.32 -40.13 95.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.43 -39.92 94.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.083 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.0 m -56.15 -33.21 65.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.42 -0.8 . . . . 0.0 109.485 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.67 59.95 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.8 -12.86 30.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.198 -1.178 . . . . 0.0 109.098 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 77.7 m -132.23 78.71 67.95 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.447 -0.783 . . . . 0.0 109.155 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.69 -0.84 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.314 1.343 . . . . 0.0 112.92 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' HE2' ' CB ' ' A' ' 45' ' ' CYS . 23.5 p80 -99.51 119.51 38.15 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.231 -0.918 . . . . 0.0 108.938 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.92 131.78 36.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 0.0 110.514 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.59 122.03 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 82.8 p -92.51 166.98 12.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.047 -1.033 . . . . 0.0 109.122 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.3 -3.42 1.34 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -101.04 -35.47 4.23 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -91.59 125.2 36.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.139 -1.212 . . . . 0.0 109.675 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 85.2 m-85 -129.89 149.66 51.53 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.504 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 66.9 m -123.16 -48.54 1.98 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.574 -0.704 . . . . 0.0 111.346 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t -102.24 -0.02 33.68 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.126 -0.984 . . . . 0.0 112.839 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -85.21 18.41 2.61 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.255 -1.528 . . . . 0.0 109.558 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.0 m-70 -76.52 -20.41 56.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.08 -1.013 . . . . 0.0 109.136 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.6 146.21 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.21 -0.931 . . . . 0.0 109.422 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' A' ' 86' ' ' ARG . 50.2 mtt-85 -90.78 46.76 1.35 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.459 -0.775 . . . . 0.0 108.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -79.58 168.82 18.88 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.401 -0.812 . . . . 0.0 109.158 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.1 p -90.18 167.99 12.29 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.4 -0.812 . . . . 0.0 108.836 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -93.94 158.39 15.66 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 109.943 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 pt -129.83 163.57 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.62 -0.675 . . . . 0.0 109.755 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 55.6 mp0 -65.48 142.49 58.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.199 -0.938 . . . . 0.0 109.505 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 53.8 t -59.67 -40.93 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.153 -0.967 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.76 -42.09 62.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.091 -1.005 . . . . 0.0 110.102 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.71 -33.64 60.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.117 -0.989 . . . . 0.0 109.149 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.0 -45.25 93.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.243 -0.911 . . . . 0.0 109.351 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.7 -48.03 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -60.07 -46.63 88.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.126 -0.983 . . . . 0.0 110.352 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -60.14 -40.45 89.88 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.458 -1.401 . . . . 0.0 109.037 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.98 -36.99 85.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.419 -0.8 . . . . 0.0 109.288 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.86 -43.31 81.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.489 -0.757 . . . . 0.0 110.985 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -42.69 94.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.675 -1.266 . . . . 0.0 109.497 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -69.94 -35.72 74.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.925 -1.109 . . . . 0.0 110.812 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.69 -55.82 30.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.161 -1.587 . . . . 0.0 110.317 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.476 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 17.3 pttp -70.02 -21.43 63.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.671 -1.268 . . . . 0.0 111.623 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.76 -44.39 86.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.419 -1.426 . . . . 0.0 110.367 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.6 mm? -62.57 -25.73 68.22 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.969 -1.082 . . . . 0.0 109.388 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -59.97 -39.8 86.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.354 -0.841 . . . . 0.0 110.567 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.99 -39.45 85.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.816 -1.177 . . . . 0.0 109.828 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -83.8 -11.5 56.96 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.911 -1.118 . . . . 0.0 109.612 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.75 8.59 48.42 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' HD12 ' A' ' 106' ' ' LEU . 63.5 mtp180 -92.95 96.8 10.33 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.517 -0.99 . . . . 0.0 108.458 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -91.26 145.56 24.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.489 -0.757 . . . . 0.0 110.032 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 109.46 -179.681 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.56 164.83 54.71 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' GLY . 5.6 Cg_exo -49.41 -174.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.299 1.332 . . . . 0.0 112.276 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 4' ' ' VAL . 14.8 m -80.03 146.63 63.81 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.217 -0.927 . . . . 0.0 109.41 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -57.86 165.79 6.12 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 119.298 0.785 . . . . 0.0 111.928 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.59 -51.15 2.67 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.19 1.26 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.0 p -62.23 -39.65 93.52 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.607 -0.683 . . . . 0.0 110.588 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.6 m -69.81 -40.29 76.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.077 -1.014 . . . . 0.0 110.801 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.86 91.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.716 -1.24 . . . . 0.0 109.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -63.16 -49.82 72.82 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.315 -0.865 . . . . 0.0 109.226 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.1 -42.87 95.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 109.79 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.11 -39.92 94.14 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.171 -0.956 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.3 -41.88 72.75 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.94 -46.38 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.998 -1.064 . . . . 0.0 109.825 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.06 -40.08 88.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.295 -0.878 . . . . 0.0 109.818 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -70.13 -46.39 64.87 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 110.034 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.42 -40.48 96.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.109 -0.994 . . . . 0.0 110.035 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -68.1 -42.5 85.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.21 -0.931 . . . . 0.0 110.169 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -59.89 -41.07 90.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.124 -0.985 . . . . 0.0 110.991 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 pt -77.0 -18.29 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.934 -1.104 . . . . 0.0 111.494 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.5 HG21 HG11 ' A' ' 96' ' ' VAL . 33.9 p -98.65 -22.91 15.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.857 -1.152 . . . . 0.0 110.928 -178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.07 -34.65 59.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.834 -1.166 . . . . 0.0 110.543 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -95.81 7.36 46.53 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.189 -0.945 . . . . 0.0 111.061 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.5 pt20 -82.68 124.79 30.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -88.37 -80.02 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -82.24 165.2 44.13 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 25.2 Cg_exo -46.97 134.79 18.16 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 120.721 0.947 . . . . 0.0 111.921 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.47 -48.54 81.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.996 -1.065 . . . . 0.0 109.213 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLY . 67.7 m -82.7 167.05 18.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.495 -0.753 . . . . 0.0 109.041 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.07 41.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.18 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 81.66 21.81 61.14 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.5 m -60.81 143.16 55.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.368 -1.078 . . . . 0.0 109.898 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.4 mtp -113.14 154.61 26.37 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.0 160.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 96.1 m95 -71.89 130.85 42.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.341 -0.849 . . . . 0.0 109.542 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.7 p -70.91 150.2 45.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.147 -0.971 . . . . 0.0 108.709 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.8 pt -135.8 165.98 28.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -88.06 123.17 32.48 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -81.02 118.95 22.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.08 -1.012 . . . . 0.0 109.698 -178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.445 ' H ' ' HG2' ' A' ' 43' ' ' MET . 31.3 p -142.3 -102.38 0.13 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.269 -0.895 . . . . 0.0 109.229 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.77 -50.2 2.41 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.435 -0.791 . . . . 0.0 109.597 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.7 31.92 0.87 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.522 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.5 mtm -60.03 -39.36 85.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.62 -0.93 . . . . 0.0 109.947 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.82 -42.17 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 0.0 109.674 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.2 m -70.59 -54.7 11.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.962 . . . . 0.0 109.909 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.4 98.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.454 -0.779 . . . . 0.0 110.66 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.19 93.57 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.926 -1.109 . . . . 0.0 110.183 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -60.02 -49.85 76.05 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.985 -1.072 . . . . 0.0 110.607 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.7 pt-20 -59.71 -36.89 77.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.845 -1.159 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.8 t -64.4 -40.05 95.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.853 -1.154 . . . . 0.0 109.222 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.89 -38.56 86.51 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.289 -0.882 . . . . 0.0 109.827 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.6 mm -53.26 -16.33 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.338 -0.852 . . . . 0.0 110.271 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 HD21 HD11 ' A' ' 83' ' ' LEU . 81.7 m-20 -83.94 -12.26 55.63 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.68 -1.263 . . . . 0.0 109.156 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.99 125.05 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.346 -0.847 . . . . 0.0 108.964 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 m -125.79 146.41 49.8 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.458 -0.776 . . . . 0.0 109.877 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.07 -9.87 75.59 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -96.48 90.1 5.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.076 -1.25 . . . . 0.0 109.296 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 t -68.84 -37.62 79.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.63 -33.35 6.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.377 -0.827 . . . . 0.0 111.236 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.2 pt -99.55 -6.04 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 O-C-N 120.882 -1.136 . . . . 0.0 111.165 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.03 -40.99 91.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.341 -1.474 . . . . 0.0 108.917 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -61.27 -40.0 92.48 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -40.18 88.55 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.72 -0.612 . . . . 0.0 109.945 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -44.03 94.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.011 -1.056 . . . . 0.0 109.539 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -61.94 -48.09 81.97 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.159 -0.963 . . . . 0.0 109.248 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.064 -1.023 . . . . 0.0 109.857 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.45 -40.29 93.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.724 -1.235 . . . . 0.0 108.422 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.5 m -59.94 -39.98 87.38 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.17 -22.5 4.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -95.89 -20.76 18.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.343 -1.092 . . . . 0.0 109.618 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.622 ' O ' ' N ' ' A' ' 73' ' ' HIS . 11.0 t -139.62 98.12 8.06 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.152 -0.967 . . . . 0.0 109.85 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -57.2 38.5 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.155 0 C-N-CA 121.728 1.619 . . . . 0.0 112.809 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.06 109.95 20.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.042 -1.036 . . . . 0.0 111.648 -177.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -81.94 92.85 6.82 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.43 128.54 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.097 -1.002 . . . . 0.0 110.424 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -97.83 162.8 13.08 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.12 -27.23 66.88 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.622 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.97 -24.45 22.69 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -89.2 124.47 34.39 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.118 -1.225 . . . . 0.0 109.706 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.597 ' CD1' HD12 ' A' ' 83' ' ' LEU . 74.7 m-85 -129.71 144.7 51.41 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.48 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 47.5 m -120.01 -42.67 2.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.522 -0.736 . . . . 0.0 111.278 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.574 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 21.7 t -97.4 -6.54 33.8 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.869 -1.144 . . . . 0.0 111.805 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 80' ' ' PHE . 17.2 mt -81.65 29.47 0.38 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.577 -1.327 . . . . 0.0 109.16 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -79.12 -31.54 44.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.437 -0.789 . . . . 0.0 109.188 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 85' ' ' VAL . 15.5 m -75.19 148.99 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.422 -0.799 . . . . 0.0 109.608 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -90.92 58.4 3.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.006 . . . . 0.0 109.243 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -82.34 170.06 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.537 -0.727 . . . . 0.0 109.474 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 88' ' ' THR . 1.6 t -94.97 162.22 13.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 51.9 mttm -87.32 152.33 22.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.348 -0.845 . . . . 0.0 109.546 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.4 pt -133.14 161.85 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.461 -0.774 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.62 144.52 57.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 32' ' ' SER . 67.7 t -58.75 -39.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.756 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.35 -46.63 25.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.21 -0.931 . . . . 0.0 110.312 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -75.92 -31.56 59.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 0.0 109.996 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -59.97 -49.01 79.36 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 109.039 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 21' ' ' THR . 99.1 t -61.49 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.389 -0.819 . . . . 0.0 109.556 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.1 -45.36 95.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.268 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -60.2 -40.8 91.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.726 -1.234 . . . . 0.0 109.037 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.74 -37.28 87.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.519 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.73 -43.51 90.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.475 -0.766 . . . . 0.0 111.895 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.3 mm? -60.2 -41.72 93.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.245 -1.534 . . . . 0.0 109.965 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -69.28 -39.49 78.32 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.103 -0.998 . . . . 0.0 110.99 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -58.72 -50.09 75.18 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.655 -1.278 . . . . 0.0 109.689 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -68.7 -22.86 64.33 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.7 -1.25 . . . . 0.0 110.125 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.01 -49.02 71.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.29 -0.881 . . . . 0.0 111.076 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -63.01 -29.24 70.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.738 -1.226 . . . . 0.0 110.292 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.98 -40.07 87.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.826 -1.171 . . . . 0.0 109.742 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 108' ' ' ARG . 46.6 mtt-85 -60.23 -37.95 81.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.158 -0.964 . . . . 0.0 109.491 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.3 -10.41 56.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.68 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.11 9.97 13.21 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -93.26 94.14 8.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.069 -1.253 . . . . 0.0 108.249 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -89.76 138.67 31.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.592 -0.692 . . . . 0.0 110.254 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 N--CA 1.488 1.47 0 O-C-N 121.491 -0.755 . . . . 0.0 109.598 179.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.469 0.652 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -71.0 166.28 52.47 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' GLY . 16.8 Cg_exo -44.71 175.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 121.367 1.378 . . . . 0.0 112.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.5 m -80.14 148.64 68.03 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.171 -0.956 . . . . 0.0 109.095 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -63.31 165.67 16.81 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 120.732 0.955 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.67 -47.98 14.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.442 1.428 . . . . 0.0 112.899 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.5 p -61.03 -39.8 91.17 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 110.421 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 m -68.95 -43.47 74.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.018 -1.052 . . . . 0.0 110.107 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.16 88.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.936 -1.102 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.19 -49.32 77.63 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.248 -0.908 . . . . 0.0 108.669 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -60.38 -42.75 96.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.245 -0.909 . . . . 0.0 109.915 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.13 -40.05 92.37 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -69.24 -42.67 75.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.0 110.209 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.18 -48.37 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.775 -1.203 . . . . 0.0 109.557 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.23 -40.76 91.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.459 -0.776 . . . . 0.0 111.418 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.24 -42.87 68.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.776 -1.203 . . . . 0.0 110.784 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.78 -44.13 97.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.89 -1.131 . . . . 0.0 110.152 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -65.02 -40.03 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 110.517 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.36 -49.54 77.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.08 -1.012 . . . . 0.0 110.908 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 20' ' ' ILE . 22.8 pt -79.04 -13.52 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.147 -0.971 . . . . 0.0 112.268 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 p -97.06 -18.68 19.22 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 120.534 -1.353 . . . . 0.0 110.384 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -80.99 -37.59 28.99 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.823 -1.173 . . . . 0.0 110.486 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.71 8.85 34.99 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.197 -0.939 . . . . 0.0 110.885 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -82.09 127.38 33.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.718 -1.239 . . . . 0.0 109.844 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -87.92 -80.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.12 159.57 67.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -46.74 140.31 12.8 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 CA-C-N 118.943 0.658 . . . . 0.0 110.482 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.02 -48.22 82.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.915 -1.116 . . . . 0.0 109.096 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 31' ' ' GLY . 39.7 m -82.79 161.72 21.91 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -67.29 42.75 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 83.01 18.39 65.24 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -60.72 142.79 55.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.209 -1.171 . . . . 0.0 109.533 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 83.3 mtp -112.68 154.34 26.27 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.97 159.94 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.225 -0.922 . . . . 0.0 109.994 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.469 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 95.9 m95 -70.79 134.69 47.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.28 -0.887 . . . . 0.0 109.621 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -70.27 153.21 43.32 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.69 163.59 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.262 -0.899 . . . . 0.0 109.499 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -87.91 118.69 27.62 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.742 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.14 119.22 22.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 108.7 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.7 p -146.93 -79.56 0.16 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.135 -0.978 . . . . 0.0 110.004 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -129.33 -67.11 0.78 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.19 40.19 0.34 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.1 mtm -60.55 -40.31 91.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.296 -1.12 . . . . 0.0 109.64 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -60.01 -49.98 75.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.542 -0.724 . . . . 0.0 110.526 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.47 -48.8 63.55 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.991 -1.068 . . . . 0.0 109.509 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.97 91.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.058 -1.026 . . . . 0.0 109.258 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.53 -37.24 85.3 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.928 -1.107 . . . . 0.0 108.885 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.02 -49.92 75.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 111.135 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.1 pt-20 -58.93 -38.39 78.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.619 -1.301 . . . . 0.0 110.092 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -61.05 -40.08 92.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.779 -1.2 . . . . 0.0 109.611 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.01 -36.76 75.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.247 -0.908 . . . . 0.0 110.087 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 24.0 mm -50.53 -25.4 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.119 -0.988 . . . . 0.0 109.337 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.89 -15.2 54.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.001 -1.062 . . . . 0.0 109.431 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.4 t -90.41 119.72 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.192 -0.943 . . . . 0.0 109.101 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -126.58 148.77 49.72 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.473 -0.767 . . . . 0.0 109.429 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.78 -9.04 71.02 Favored Glycine 0 N--CA 1.497 2.734 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.1 m -97.36 89.34 4.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -1.215 . . . . 0.0 109.918 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' ILE . 33.1 t -76.42 -33.56 58.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.206 -0.934 . . . . 0.0 110.163 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.27 -11.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.454 -0.779 . . . . 0.0 110.506 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 58' ' ' SER . 30.3 pt -129.18 14.71 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.321 -0.862 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -59.69 -47.4 85.79 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -60.86 -38.02 84.14 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.2 m -59.14 -40.33 85.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 0.0 109.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.11 -40.41 89.58 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.1 ttm-85 -63.67 -49.13 74.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.359 -0.838 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.3 mtm -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 109.495 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.79 -40.02 93.74 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.9 m -59.85 -39.5 85.41 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.83 -31.19 23.5 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -95.6 -4.9 43.7 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.349 -1.089 . . . . 0.0 108.777 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 18.1 t -139.42 80.22 23.11 Favored Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -57.08 -21.72 43.69 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.368 1.378 . . . . 0.0 113.649 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.601 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.2 p80 -89.04 111.02 21.66 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.798 -1.189 . . . . 0.0 109.105 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -76.76 146.2 38.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 109.692 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 60.9 t -113.0 132.89 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.607 -0.683 . . . . 0.0 109.205 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.1 m -90.85 166.64 12.97 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.063 -1.023 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -63.12 -12.42 27.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.338 -0.851 . . . . 0.0 109.562 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.68 -35.21 7.4 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 93.1 mm-40 -91.14 127.81 36.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.39 -1.065 . . . . 0.0 109.912 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.634 ' CD1' HD12 ' A' ' 83' ' ' LEU . 80.8 m-85 -129.5 146.69 51.3 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 20.6 m -121.71 -46.81 2.23 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.446 -0.784 . . . . 0.0 111.456 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.548 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 22.8 t -99.89 -7.73 24.91 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.907 -1.121 . . . . 0.0 112.445 -177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.634 HD12 ' CD1' ' A' ' 80' ' ' PHE . 27.1 mt -81.67 28.74 0.4 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.345 -1.472 . . . . 0.0 109.13 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -75.42 -39.49 58.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.95 146.9 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.44 -0.787 . . . . 0.0 109.514 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -89.99 68.05 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.095 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -85.65 170.11 12.85 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.7 p -89.75 159.93 16.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 0.0 109.091 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 58.4 mttp -86.46 155.97 20.32 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 0.0 109.659 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.5 pt -130.13 161.54 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.581 -0.7 . . . . 0.0 109.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.51 145.55 55.97 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.084 -1.01 . . . . 0.0 110.026 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.95 -40.64 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.133 -0.979 . . . . 0.0 109.759 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.86 -40.43 60.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -74.82 -35.82 62.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 108.766 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.93 -49.28 78.29 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.509 -0.744 . . . . 0.0 110.051 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.32 -46.56 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 110.281 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -61.45 -44.79 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.564 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.03 -40.25 88.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.542 -1.348 . . . . 0.0 108.992 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.38 -38.9 91.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.452 -0.78 . . . . 0.0 108.921 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.8 tp -57.26 -41.68 80.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.532 -0.73 . . . . 0.0 110.841 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.04 -44.26 94.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.652 -1.28 . . . . 0.0 109.067 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -70.0 -38.08 75.87 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.237 -0.915 . . . . 0.0 111.663 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.88 -51.27 70.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.33 -1.481 . . . . 0.0 110.319 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -69.81 -21.47 63.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.638 -1.289 . . . . 0.0 109.494 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.14 -52.13 51.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.134 -0.979 . . . . 0.0 109.983 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.9 mm? -61.72 -32.97 73.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.117 -0.989 . . . . 0.0 109.213 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.96 -40.25 88.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.05 -1.031 . . . . 0.0 109.652 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 108' ' ' ARG . 41.4 mtm-85 -62.57 -33.71 75.51 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -84.03 -13.07 54.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.885 -1.134 . . . . 0.0 109.828 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.59 3.39 26.62 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 111' ' ' ARG . 55.4 mtt-85 -94.93 99.7 11.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.035 -1.273 . . . . 0.0 108.26 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -92.99 139.08 30.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.321 -0.862 . . . . 0.0 110.471 -178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.556 -0.715 . . . . 0.0 109.659 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.471 0.653 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.01 161.42 53.07 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -51.05 142.4 34.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 120.99 1.127 . . . . 0.0 111.645 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.462 ' H ' HG22 ' A' ' 4' ' ' VAL . 5.6 m -79.72 149.09 70.47 Favored Pre-proline 0 C--N 1.305 -1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 108.611 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.45 166.34 3.6 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 120.441 0.76 . . . . 0.0 111.834 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -59.3 -50.03 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.37 1.38 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -61.76 -39.26 91.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.327 -0.858 . . . . 0.0 110.508 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.9 m -67.84 -40.08 83.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.016 -1.052 . . . . 0.0 110.157 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.087 -1.008 . . . . 0.0 109.315 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.38 -49.49 77.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.453 -0.779 . . . . 0.0 110.009 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 11' ' ' ARG . 23.4 mmm-85 -60.04 -40.86 90.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 108.821 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.94 -40.01 95.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.477 -0.765 . . . . 0.0 109.351 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.8 tp -69.99 -41.76 73.96 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.39 -45.94 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.045 -1.035 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -60.04 -40.32 89.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.01 -40.1 75.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.925 -1.11 . . . . 0.0 109.765 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.98 -45.49 92.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.497 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.76 -40.01 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.457 -0.777 . . . . 0.0 109.865 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.02 -44.42 94.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.353 -0.842 . . . . 0.0 111.283 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.5 -21.26 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.031 -1.043 . . . . 0.0 112.108 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -96.5 -15.75 21.51 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.679 -1.263 . . . . 0.0 110.728 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -74.7 -39.15 62.13 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.839 -1.163 . . . . 0.0 109.957 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -97.84 10.33 40.45 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -0.903 . . . . 0.0 110.735 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 28' ' ' LEU . 14.6 pt20 -80.2 125.26 29.62 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -88.26 -77.82 0.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -78.51 160.0 73.44 Favored Pre-proline 0 C--N 1.304 -1.389 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 17.0 Cg_exo -46.02 163.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 120.563 0.842 . . . . 0.0 112.095 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 24' ' ' GLN . 70.3 mt -69.23 -4.1 16.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 0.0 109.425 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' GLY . 73.5 m -145.8 176.71 9.46 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.317 -0.865 . . . . 0.0 109.117 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -67.5 42.51 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.244 -0.91 . . . . 0.0 109.388 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.11 20.45 67.44 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.8 m -62.48 148.22 46.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.231 -1.158 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 mtm -118.89 160.8 21.27 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.0 m -130.01 160.4 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 109.848 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.586 ' NE1' ' NZ ' ' A' ' 89' ' ' LYS . 95.1 m95 -70.51 135.54 48.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.554 -0.716 . . . . 0.0 109.626 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.5 p -70.02 151.3 45.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.302 -0.874 . . . . 0.0 109.117 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -133.88 161.34 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.474 -0.766 . . . . 0.0 109.721 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -86.53 117.85 25.57 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.711 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -78.87 115.69 18.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.03 -1.044 . . . . 0.0 109.474 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 41' ' ' ALA . 69.9 p -142.36 -97.63 0.12 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.494 -0.753 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.53 -61.67 1.71 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.358 -0.838 . . . . 0.0 109.925 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.81 39.26 0.4 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.509 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.4 mtm -61.05 -39.76 91.03 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.428 -1.043 . . . . 0.0 109.815 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -60.03 -49.76 76.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.448 -0.783 . . . . 0.0 110.259 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.5 m -67.18 -48.7 67.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.098 -1.001 . . . . 0.0 109.735 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.24 92.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.39 -41.11 94.06 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.029 -1.044 . . . . 0.0 110.005 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.0 -49.54 77.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.302 -0.874 . . . . 0.0 110.754 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.82 -39.84 78.56 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.7 -1.25 . . . . 0.0 109.414 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.6 p -65.78 -41.58 91.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 108.828 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' HB3' HE21 ' A' ' 64' ' ' GLN . 89.7 mt -69.97 -37.25 75.72 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 109.709 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.56 -15.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.714 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.85 -18.57 34.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.932 -1.105 . . . . 0.0 109.527 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.57 120.28 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.225 -0.922 . . . . 0.0 109.197 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.2 m -125.04 150.58 46.62 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.448 -0.783 . . . . 0.0 109.734 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.33 -9.12 72.19 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.681 -1.367 . . . . 0.0 109.681 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.2 m -98.14 89.19 4.43 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.186 -1.185 . . . . 0.0 109.28 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 t -61.02 -37.25 81.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.449 -0.782 . . . . 0.0 110.163 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.09 -36.4 8.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.435 -0.791 . . . . 0.0 111.453 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.48 -5.8 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.941 -1.099 . . . . 0.0 111.8 -178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -59.95 -46.43 89.42 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.489 -1.382 . . . . 0.0 109.313 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.26 -40.01 88.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.093 -1.005 . . . . 0.0 108.766 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.8 m -59.96 -40.6 89.6 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.8 mt-30 -60.01 -41.01 91.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.008 -1.058 . . . . 0.0 109.397 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -62.36 -48.39 79.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.256 -0.902 . . . . 0.0 109.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -63.57 -40.0 95.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 109.659 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.51 -39.1 89.76 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.5 m -56.22 -36.36 68.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 0.0 109.309 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.9 -28.38 16.62 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.21 5.98 47.91 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.256 -1.143 . . . . 0.0 109.378 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 10.4 t -131.82 81.6 62.62 Favored Pre-proline 0 N--CA 1.501 2.08 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -50.92 7.96 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.88 0 C-N-CA 121.652 1.568 . . . . 0.0 114.74 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.597 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 5.8 p80 -134.27 126.71 30.33 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.879 -1.138 . . . . 0.0 109.531 179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.7 152.47 33.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.995 . . . . 0.0 109.159 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.4 p -137.09 130.82 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.33 -0.856 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.7 t -97.33 170.53 9.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.316 -0.865 . . . . 0.0 109.945 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.95 -3.87 1.37 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.44 -0.787 . . . . 0.0 109.621 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.1 -35.1 6.17 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -91.83 126.62 36.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.253 -1.145 . . . . 0.0 109.74 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 79.2 m-85 -127.9 145.21 51.02 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.491 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.8 m -123.01 -49.43 1.96 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.569 -0.707 . . . . 0.0 111.361 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t -97.89 -6.48 32.28 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.036 -1.04 . . . . 0.0 112.336 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.2 mp -83.62 27.3 0.62 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.515 -1.366 . . . . 0.0 109.365 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.2 m-70 -75.35 -30.92 60.39 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.213 -0.93 . . . . 0.0 108.906 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.2 152.77 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.375 -0.828 . . . . 0.0 109.078 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -90.0 58.8 4.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.113 -0.992 . . . . 0.0 109.436 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.38 163.36 21.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 108.7 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.1 p -89.93 169.59 11.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.001 -1.062 . . . . 0.0 109.04 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.586 ' NZ ' ' NE1' ' A' ' 35' ' ' TRP . 54.4 mttm -86.2 155.95 20.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.5 pt -129.97 159.68 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.81 142.42 58.41 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 110.354 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -57.67 -40.04 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.402 -0.811 . . . . 0.0 109.216 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.03 65.13 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 109.732 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -74.84 -37.52 62.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.878 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.02 -49.94 75.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.547 -0.721 . . . . 0.0 110.281 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.5 t -61.54 -49.81 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.729 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.97 -45.16 93.57 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.279 -0.888 . . . . 0.0 110.152 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.97 -42.75 94.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.623 -1.298 . . . . 0.0 108.836 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.3 -35.72 81.78 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.562 -0.711 . . . . 0.0 109.307 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.67 -43.16 84.81 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.325 -0.859 . . . . 0.0 110.776 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.06 -42.57 94.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.814 -1.179 . . . . 0.0 109.209 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -69.57 -40.01 77.01 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 111.142 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.81 -54.6 44.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.36 -1.462 . . . . 0.0 110.346 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -69.96 -20.02 63.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.522 -1.361 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -66.78 -47.05 73.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.642 -1.286 . . . . 0.0 110.598 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -60.89 -28.49 68.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.826 -1.171 . . . . 0.0 109.08 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.0 -40.03 87.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 0.0 108.625 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -61.47 -34.18 75.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.5 -0.75 . . . . 0.0 109.474 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.2 -16.8 39.09 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.143 -0.973 . . . . 0.0 110.13 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.78 2.75 38.84 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -94.49 97.78 10.39 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.189 -1.183 . . . . 0.0 108.551 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 70.6 m-85 -91.8 138.81 31.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.795 . . . . 0.0 109.999 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 17.3 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.357 -0.84 . . . . 0.0 109.438 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.318 0.58 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -69.74 163.67 51.75 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 2' ' ' GLY . 14.1 Cg_exo -47.64 -173.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.447 1.431 . . . . 0.0 112.944 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.9 m -80.04 143.62 57.57 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.397 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -54.05 169.78 0.59 Allowed 'Trans proline' 0 N--CA 1.492 1.396 0 CA-C-N 119.388 0.817 . . . . 0.0 111.495 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -67.81 -57.98 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.094 1.196 . . . . 0.0 113.083 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.3 p -60.43 -40.58 91.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.353 -0.842 . . . . 0.0 110.359 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -66.4 -39.88 89.3 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.195 -0.941 . . . . 0.0 109.541 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.69 95.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.108 -0.995 . . . . 0.0 109.485 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.3 tp -61.56 -47.11 87.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.14 -0.975 . . . . 0.0 109.476 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.22 -41.42 93.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.76 -1.212 . . . . 0.0 109.828 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.45 -38.21 89.17 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.341 -0.85 . . . . 0.0 109.141 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.5 tp -70.08 -43.2 71.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 109.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.102 -0.999 . . . . 0.0 110.508 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.05 -40.44 89.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.056 -1.028 . . . . 0.0 110.903 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -44.14 66.46 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.705 -1.247 . . . . 0.0 110.49 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.23 -43.94 98.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.015 -1.053 . . . . 0.0 109.975 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.56 -42.87 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.946 -1.096 . . . . 0.0 110.195 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -59.66 -44.99 93.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.173 -0.954 . . . . 0.0 111.127 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.81 -14.91 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.101 -1.0 . . . . 0.0 111.871 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -97.3 -27.28 14.57 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.609 -1.307 . . . . 0.0 110.086 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -74.58 -36.11 63.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.84 -1.163 . . . . 0.0 110.46 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -94.02 8.86 39.89 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.056 -1.027 . . . . 0.0 110.455 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 12.7 pt20 -81.01 122.66 27.57 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.665 -1.272 . . . . 0.0 110.225 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -85.1 -75.04 0.37 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.31 157.2 68.34 Favored Pre-proline 0 N--CA 1.489 1.489 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -45.34 146.78 2.87 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 120.415 0.743 . . . . 0.0 111.263 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.25 -50.85 71.38 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.234 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' C ' ' H ' ' A' ' 31' ' ' GLY . 52.9 m -86.61 169.96 12.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.231 -0.918 . . . . 0.0 109.487 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -68.26 40.33 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.058 -1.026 . . . . 0.0 109.07 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 84.3 19.36 60.74 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 52.9 m -64.1 150.26 45.9 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.251 -1.146 . . . . 0.0 109.97 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.5 mtm -121.3 159.31 26.29 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.46 164.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.081 -1.012 . . . . 0.0 110.736 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -72.67 130.28 40.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.339 -0.85 . . . . 0.0 109.752 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.4 p -70.43 151.35 45.27 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.182 -0.949 . . . . 0.0 108.713 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 pt -139.17 166.91 21.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.148 -0.97 . . . . 0.0 109.402 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.92 121.97 29.31 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.4 mm? -78.87 113.92 17.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.059 -1.026 . . . . 0.0 109.259 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.49 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.9 p -144.36 -100.27 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.917 . . . . 0.0 109.974 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.48 -54.8 2.5 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.313 -0.867 . . . . 0.0 109.786 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.03 33.54 0.51 Allowed Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.536 ' H ' ' C ' ' A' ' 41' ' ' ALA . 58.4 mtm -63.87 -40.99 97.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.402 -1.058 . . . . 0.0 111.231 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -60.68 -52.36 65.45 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.962 -1.086 . . . . 0.0 110.897 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.4 m -68.43 -45.5 72.39 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.152 -0.967 . . . . 0.0 109.398 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.72 93.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.159 -0.963 . . . . 0.0 108.591 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.093 -1.005 . . . . 0.0 109.667 179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.326 -0.859 . . . . 0.0 111.133 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -58.6 -40.03 82.07 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.565 -1.334 . . . . 0.0 109.5 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.1 m -64.05 -40.04 95.4 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.0 109.024 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.11 -32.19 70.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 0.0 110.278 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mm -55.42 -22.98 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.169 -0.957 . . . . 0.0 109.106 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -79.81 -14.9 58.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.122 -0.986 . . . . 0.0 109.623 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -93.48 122.07 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.173 -0.955 . . . . 0.0 109.718 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -129.45 151.58 49.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.486 -0.759 . . . . 0.0 109.305 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.6 -10.12 73.06 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.89 91.06 6.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.955 -1.32 . . . . 0.0 109.036 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -70.38 -25.98 63.5 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.438 -0.788 . . . . 0.0 109.61 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.67 -39.68 68.31 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.226 -0.921 . . . . 0.0 110.291 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 60' ' ' ILE . 38.5 pt -100.07 8.19 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 O-C-N 121.097 -1.002 . . . . 0.0 111.729 -178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 17.2 pt-20 -59.53 -42.34 92.08 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.13 -1.606 . . . . 0.0 108.102 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' A' ' 61' ' ' GLU . 68.6 mttm -60.48 -40.86 92.81 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.522 0.677 . . . . 0.0 109.308 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.77 -40.35 87.93 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.373 0.606 . . . . 0.0 109.772 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.36 -40.74 91.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.496 -0.881 . . . . 0.0 109.95 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -64.5 -48.97 73.18 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.04 -1.038 . . . . 0.0 109.926 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 69.2 mtm -60.67 -40.26 91.45 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.376 -0.827 . . . . 0.0 109.79 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.78 -38.26 89.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.113 -0.992 . . . . 0.0 109.463 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 67.6 m -58.33 -38.3 76.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.63 -29.82 26.06 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.41 2.31 54.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.345 -1.091 . . . . 0.0 109.229 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 5.5 t -132.22 76.41 72.89 Favored Pre-proline 0 N--CA 1.499 2.0 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -55.87 21.57 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 121.898 1.732 . . . . 0.0 114.429 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p80 -133.87 139.03 45.95 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.862 -1.149 . . . . 0.0 109.536 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -81.21 147.69 29.86 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.346 0.593 . . . . 0.0 110.519 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.96 131.42 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.651 0.738 . . . . 0.0 109.154 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -103.12 165.91 10.75 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.581 -0.699 . . . . 0.0 109.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -5.07 2.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.382 -0.824 . . . . 0.0 110.294 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.09 -23.88 7.5 Favored Glycine 0 N--CA 1.501 2.98 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.0 120.83 34.79 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.051 -1.264 . . . . 0.0 109.906 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 83' ' ' LEU . 78.2 m-85 -130.08 147.1 51.78 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.553 -0.717 . . . . 0.0 109.237 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 32.9 m -122.18 -31.57 3.83 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.479 -0.763 . . . . 0.0 111.444 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 t -112.37 -1.87 14.93 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.084 -1.01 . . . . 0.0 111.681 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.658 HD12 ' CD1' ' A' ' 80' ' ' PHE . 30.3 mt -87.15 23.49 1.8 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.617 -1.302 . . . . 0.0 109.528 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.461 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.6 m-70 -75.43 -38.19 59.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.06 -1.025 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.5 t -75.29 149.99 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.528 -0.732 . . . . 0.0 109.356 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.62 69.53 7.8 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.037 -1.039 . . . . 0.0 109.497 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.62 167.31 18.41 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -92.78 156.2 17.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.056 -1.027 . . . . 0.0 109.027 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -85.97 150.73 24.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.015 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.4 pt -128.72 161.38 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.452 -0.78 . . . . 0.0 109.291 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.47 142.69 56.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.304 -0.873 . . . . 0.0 109.226 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.9 t -58.79 -40.88 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.223 -0.923 . . . . 0.0 108.695 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.68 48.62 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.492 -0.755 . . . . 0.0 109.252 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.9 -37.65 67.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.376 -0.827 . . . . 0.0 109.191 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.94 -48.96 79.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.383 -0.823 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.08 -47.06 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.164 -0.96 . . . . 0.0 110.496 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -62.47 -44.92 95.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 110.557 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.51 -42.54 96.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.442 -1.411 . . . . 0.0 108.462 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.17 -39.75 93.71 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.602 0.715 . . . . 0.0 109.13 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.18 -43.69 74.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.376 -0.827 . . . . 0.0 110.577 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.06 -41.74 97.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 119.928 -1.732 . . . . 0.0 109.764 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -69.26 -39.64 78.29 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.894 -1.128 . . . . 0.0 111.068 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -59.23 -47.54 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.605 -1.31 . . . . 0.0 110.222 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.83 -25.05 64.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.916 -1.115 . . . . 0.0 110.402 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -66.84 -47.23 72.6 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 111.314 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 1.7 mm? -60.15 -29.43 68.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.868 -1.145 . . . . 0.0 109.6 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -59.95 -39.62 86.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.146 -0.972 . . . . 0.0 109.578 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 108' ' ' ARG . 57.0 mtt-85 -61.59 -39.61 91.81 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.29 -0.882 . . . . 0.0 110.091 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.42 -11.55 59.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.008 -1.058 . . . . 0.0 109.664 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 10.5 39.63 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -94.98 99.87 11.81 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.118 -1.224 . . . . 0.0 109.071 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -95.5 130.0 42.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.427 -0.796 . . . . 0.0 109.612 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.613 ' ND2' ' N ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.378 -0.826 . . . . 0.0 109.6 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.84 169.52 53.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -47.22 167.81 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.343 1.362 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 m -82.24 148.79 60.59 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.652 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -66.49 163.57 31.99 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 CA-C-N 119.364 0.808 . . . . 0.0 111.523 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -57.73 -41.38 70.74 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.057 1.171 . . . . 0.0 112.766 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -62.55 -37.08 84.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.479 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.8 m -69.87 -40.43 75.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.0 109.554 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.06 -42.67 98.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.032 -1.042 . . . . 0.0 108.536 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.93 -47.22 84.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.377 -0.827 . . . . 0.0 109.327 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -59.88 -44.12 94.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.081 -1.012 . . . . 0.0 109.614 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -40.19 94.27 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.494 -0.754 . . . . 0.0 108.969 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.87 -47.36 62.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.451 -0.781 . . . . 0.0 110.311 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -60.0 -47.76 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.854 -1.154 . . . . 0.0 109.766 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.87 -41.65 92.01 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 120.908 -1.12 . . . . 0.0 110.72 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -70.24 -40.66 74.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.92 -1.113 . . . . 0.0 110.891 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.3 -40.32 90.06 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.097 -1.002 . . . . 0.0 109.114 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -66.48 -43.78 90.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.877 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.05 -40.92 91.09 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.347 -0.846 . . . . 0.0 111.377 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 pt -77.42 -18.0 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 120.682 -1.262 . . . . 0.0 111.818 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.1 p -99.77 -27.73 13.5 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.623 -1.298 . . . . 0.0 110.809 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -71.52 -39.47 70.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.788 -1.195 . . . . 0.0 110.959 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -98.43 20.55 12.5 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.097 -1.002 . . . . 0.0 110.252 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 1.8 pt20 -82.46 122.17 27.69 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.103 -0.998 . . . . 0.0 110.032 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -85.22 -76.52 0.32 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.996 -1.065 . . . . 0.0 108.161 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.84 156.04 70.24 Favored Pre-proline 0 N--CA 1.488 1.46 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -42.99 163.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 120.467 0.778 . . . . 0.0 112.192 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.04 -23.36 67.3 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 0.0 109.49 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 72.5 m -146.21 -177.5 5.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.993 -1.067 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.62 49.08 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.35 -0.843 . . . . 0.0 110.052 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 69.82 25.03 76.04 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 92' ' ' VAL . 45.8 m -61.37 137.27 58.24 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.258 . . . . 0.0 109.403 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.7 mtp -110.92 151.99 27.27 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 m -127.11 162.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.741 . . . . 0.0 109.698 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -72.49 137.87 46.63 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.514 -0.741 . . . . 0.0 109.853 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 53.1 p -71.44 149.97 45.38 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.405 -0.81 . . . . 0.0 109.346 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.1 pt -133.04 161.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.372 -0.83 . . . . 0.0 109.498 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -86.77 127.57 35.0 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.9 mm? -81.89 121.65 26.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.968 -1.083 . . . . 0.0 109.523 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.492 ' H ' ' HG2' ' A' ' 43' ' ' MET . 77.3 p -147.87 -122.26 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -104.54 -41.92 5.58 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.29 -0.881 . . . . 0.0 109.488 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.26 31.6 1.83 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.492 ' HG2' ' H ' ' A' ' 40' ' ' THR . 69.4 mtm -62.18 -40.37 95.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.391 -1.064 . . . . 0.0 110.69 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -60.51 -42.64 96.8 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.041 -1.037 . . . . 0.0 109.185 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.0 m -67.82 -54.12 21.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.065 -1.022 . . . . 0.0 109.314 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.22 99.38 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.367 -0.833 . . . . 0.0 109.835 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.75 97.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 110.009 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.06 -50.23 74.53 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.261 -0.899 . . . . 0.0 110.845 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.22 -32.4 71.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.705 -1.247 . . . . 0.0 110.651 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.3 p -65.21 -39.49 92.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.677 -1.265 . . . . 0.0 109.081 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.56 -31.8 68.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.292 -0.88 . . . . 0.0 110.06 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.1 mm -56.06 -18.85 6.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.003 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -83.28 -15.03 51.77 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 109.561 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.05 125.91 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.085 -1.01 . . . . 0.0 109.231 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -129.02 147.78 50.92 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.577 -0.702 . . . . 0.0 109.81 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.42 22.84 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -140.48 93.0 2.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.239 -1.153 . . . . 0.0 108.873 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -69.38 -40.01 77.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.31 -26.63 1.3 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -0.954 . . . . 0.0 111.713 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 pt -102.39 -9.87 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.592 0 O-C-N 120.687 -1.258 . . . . 0.0 110.887 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.03 -41.92 93.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.53 -1.356 . . . . 0.0 109.238 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' SD ' ' A' ' 66' ' ' MET . 96.5 mttt -62.12 -40.92 97.52 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.007 -1.058 . . . . 0.0 108.512 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -60.03 -40.2 88.52 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.335 -0.853 . . . . 0.0 109.522 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -59.23 -50.04 75.56 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.245 -0.909 . . . . 0.0 110.386 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.62 -40.2 94.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.425 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 20.1 mtp -63.21 -40.03 96.32 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.7 mt -65.6 -37.87 87.87 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.939 -1.1 . . . . 0.0 108.645 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' CYS . 70.4 m -60.02 -38.16 81.87 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.33 -31.26 12.72 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.91 -11.91 29.99 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.449 -1.03 . . . . 0.0 109.021 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.5 OUTLIER -142.55 95.65 6.43 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.262 -0.898 . . . . 0.0 109.627 -179.199 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.25 35.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 121.031 1.154 . . . . 0.0 111.698 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.0 OUTLIER -91.33 102.66 15.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.157 -0.964 . . . . 0.0 111.257 -177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.85 97.39 7.36 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.4 t -99.96 130.17 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.433 -0.792 . . . . 0.0 109.336 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.8 p -100.8 165.67 11.25 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -8.49 2.6 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.4 -33.78 3.82 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' O ' HG13 ' A' ' 75' ' ' VAL . 93.2 mm-40 -89.04 126.29 35.37 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.769 -1.43 . . . . 0.0 110.259 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -129.93 152.59 49.24 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.501 -0.75 . . . . 0.0 109.515 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.521 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 63.3 m -119.96 -53.72 2.16 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.542 -0.724 . . . . 0.0 112.332 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -99.5 0.33 42.23 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.883 -1.136 . . . . 0.0 112.542 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.9 mp -84.73 22.99 1.23 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.316 -1.49 . . . . 0.0 109.279 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.521 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.7 m-70 -76.74 -25.97 54.1 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.0 m -77.29 148.37 6.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.63 -0.669 . . . . 0.0 109.45 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 mtm-85 -91.12 54.26 2.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.335 -0.853 . . . . 0.0 109.725 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.04 170.24 16.46 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.285 -0.884 . . . . 0.0 108.711 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -90.62 165.8 13.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.13 -0.981 . . . . 0.0 109.215 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -86.38 150.8 24.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.341 -0.849 . . . . 0.0 109.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 36.8 pt -127.47 161.35 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 O-C-N 121.372 -0.83 . . . . 0.0 109.896 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.97 138.74 58.55 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.191 -0.943 . . . . 0.0 110.397 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 32' ' ' SER . 55.3 t -59.72 -40.07 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 121.538 0.685 . . . . 0.0 109.794 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.34 -41.5 63.07 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.74 -1.225 . . . . 0.0 109.715 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -76.77 -29.46 56.1 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.991 -1.068 . . . . 0.0 108.831 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.44 -50.11 75.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.54 -44.63 98.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 119.523 -0.871 . . . . 0.0 109.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.13 -50.17 74.76 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.541 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.19 -38.99 84.93 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.222 -1.549 . . . . 0.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.66 -38.08 88.91 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.144 -0.972 . . . . 0.0 108.892 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.8 tp -57.16 -42.6 81.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.542 -0.724 . . . . 0.0 111.148 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.1 mm? -61.56 -46.56 89.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.853 -1.155 . . . . 0.0 110.407 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -68.5 -39.8 81.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.777 -1.202 . . . . 0.0 110.718 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.4 mt -55.36 -57.48 11.69 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.585 -1.322 . . . . 0.0 110.76 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -65.72 -19.34 65.86 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.347 -1.471 . . . . 0.0 110.488 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -65.06 -45.37 85.62 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.912 -1.118 . . . . 0.0 109.948 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.0 mm? -62.7 -29.25 70.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.881 -1.137 . . . . 0.0 109.8 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.49 -38.28 80.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.467 HH11 ' HG2' ' A' ' 108' ' ' ARG . 42.4 mtt-85 -60.16 -36.54 77.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.498 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -85.34 -14.67 45.73 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.088 -1.008 . . . . 0.0 110.157 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.69 0.65 13.58 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -92.23 97.85 11.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.242 -1.152 . . . . 0.0 108.446 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -90.91 141.04 29.25 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.722 . . . . 0.0 110.943 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.215 -0.928 . . . . 0.0 109.819 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 tpp . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.48 159.37 53.64 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -47.16 164.32 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.182 0 C-N-CA 120.963 1.109 . . . . 0.0 111.904 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 m -81.25 148.82 64.39 Favored Pre-proline 0 C--N 1.304 -1.393 0 O-C-N 121.233 -0.917 . . . . 0.0 108.934 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.3 164.77 4.9 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 120.472 0.781 . . . . 0.0 112.047 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -64.81 -48.34 4.08 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 121.504 1.469 . . . . 0.0 113.131 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.2 p -60.05 -39.91 87.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.147 -0.97 . . . . 0.0 109.711 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.0 m -69.63 -43.84 71.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 0.0 109.678 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.7 97.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.176 -0.953 . . . . 0.0 109.335 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.41 -48.33 82.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.382 -0.824 . . . . 0.0 109.639 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NH1' ' CB ' ' A' ' 11' ' ' ARG . 11.2 mtp-105 -59.93 -42.92 95.01 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.144 -0.972 . . . . 0.0 109.139 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.21 -40.09 95.33 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 tp -70.07 -45.4 67.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.19 -0.944 . . . . 0.0 110.254 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.14 -45.57 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.706 -1.246 . . . . 0.0 110.034 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.13 -41.06 91.87 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.017 -1.052 . . . . 0.0 109.976 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -70.24 -41.15 73.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.977 -1.077 . . . . 0.0 109.653 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.98 -41.94 99.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.125 -0.984 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.62 -40.63 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.0 109.542 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.09 -40.08 88.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 111.529 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.7 pt -79.86 -19.45 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 112.683 -177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.6 p -98.4 -20.9 16.88 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.552 -1.343 . . . . 0.0 111.009 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.95 -36.93 62.09 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.715 -1.241 . . . . 0.0 110.451 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -98.31 9.29 43.37 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -81.53 127.84 33.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.442 -1.411 . . . . 0.0 109.683 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -89.65 -80.03 0.32 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.28 155.37 71.99 Favored Pre-proline 0 N--CA 1.489 1.478 0 N-CA-C 107.759 -1.201 . . . . 0.0 107.759 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -47.02 143.67 9.51 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 C-N-CA 120.389 0.726 . . . . 0.0 111.766 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.42 -49.33 74.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.162 -0.961 . . . . 0.0 109.334 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' GLY . 56.8 m -83.84 162.63 20.51 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.315 -0.866 . . . . 0.0 109.053 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -67.72 46.49 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.19 -0.944 . . . . 0.0 108.996 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 76.1 25.24 66.93 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -61.59 146.6 48.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.256 -1.143 . . . . 0.0 109.96 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.463 ' SD ' ' OE2' ' A' ' 91' ' ' GLU . 92.1 mmm -110.14 149.8 29.55 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 m -130.29 160.03 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.198 -0.939 . . . . 0.0 109.919 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -72.53 134.29 45.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.655 -0.653 . . . . 0.0 109.593 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.7 p -72.02 150.48 43.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.155 -0.966 . . . . 0.0 108.946 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.01 160.36 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.341 -0.85 . . . . 0.0 109.543 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -88.7 122.44 32.13 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.729 ' N ' HD22 ' A' ' 39' ' ' LEU . 2.5 mm? -81.06 111.08 17.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.051 -1.03 . . . . 0.0 109.501 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.4 p -150.18 -81.29 0.11 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.21 -0.931 . . . . 0.0 109.788 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -119.23 -62.22 1.54 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.529 -0.732 . . . . 0.0 109.826 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.15 37.1 0.31 Allowed Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' ALA . 37.5 mtp -59.96 -52.26 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -1.105 . . . . 0.0 110.529 -179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -64.61 -43.83 92.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.422 -0.799 . . . . 0.0 109.992 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -67.2 -53.76 27.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.434 -0.791 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.14 94.49 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.673 0.749 . . . . 0.0 109.859 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.08 93.48 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 110.024 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.11 -49.98 75.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.173 -0.954 . . . . 0.0 110.626 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.5 pt-20 -59.02 -36.23 74.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.922 -1.111 . . . . 0.0 109.704 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.7 p -62.02 -38.93 90.54 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.101 -0.999 . . . . 0.0 108.608 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HE21 ' A' ' 64' ' ' GLN . 83.3 mt -69.68 -34.91 74.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.353 -0.842 . . . . 0.0 109.832 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.5 mm -54.76 -22.8 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.059 -1.025 . . . . 0.0 109.646 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.14 -20.72 44.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.949 -1.095 . . . . 0.0 109.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.44 120.19 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.343 -0.848 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -128.64 150.02 50.41 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.55 -0.719 . . . . 0.0 109.368 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.82 -9.97 68.38 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.0 m -97.63 88.25 4.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.13 -1.218 . . . . 0.0 109.44 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 60' ' ' ILE . 16.4 t -71.72 -33.16 68.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.329 -0.857 . . . . 0.0 109.697 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.35 -12.02 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.551 -0.718 . . . . 0.0 110.312 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 58' ' ' SER . 38.3 pt -129.52 15.52 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.248 -0.907 . . . . 0.0 109.619 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -59.8 -46.44 89.21 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.57 -39.85 92.64 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.415 0.626 . . . . 0.0 109.762 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -59.68 -42.21 92.41 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.273 -0.892 . . . . 0.0 109.418 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.4 mt-30 -61.41 -40.04 92.95 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.025 -1.047 . . . . 0.0 109.604 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -66.61 -48.39 69.64 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.109 -0.994 . . . . 0.0 110.272 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.0 mtm -62.18 -39.92 94.31 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.722 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.89 -39.9 86.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.822 -1.174 . . . . 0.0 109.083 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.2 m -59.17 -39.75 83.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.367 -0.833 . . . . 0.0 109.064 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.58 -24.1 30.6 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 110.031 -1.227 . . . . 0.0 110.031 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -93.01 -17.18 24.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.04 -1.271 . . . . 0.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.646 ' O ' ' N ' ' A' ' 73' ' ' HIS . 19.6 t -144.44 95.26 5.48 Favored Pre-proline 0 N--CA 1.495 1.823 0 O-C-N 121.157 -0.965 . . . . 0.0 109.773 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.93 38.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.208 1.939 . . . . 0.0 113.333 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -91.16 109.57 20.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.947 -1.096 . . . . 0.0 111.601 -177.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -83.3 94.21 7.88 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.65 133.28 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.246 -0.909 . . . . 0.0 110.069 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.8 m -98.89 157.7 16.13 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.9 -11.54 8.26 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.172 -0.955 . . . . 0.0 110.231 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.88 -32.52 4.08 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -89.55 129.22 36.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.148 -1.207 . . . . 0.0 109.883 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CD1' HD12 ' A' ' 83' ' ' LEU . 97.6 m-85 -130.26 152.87 49.2 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.486 -0.759 . . . . 0.0 109.414 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.534 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 16.8 m -121.32 -39.56 2.67 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.615 -0.678 . . . . 0.0 110.643 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.559 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 20.0 t -99.6 -7.36 25.91 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.968 -1.082 . . . . 0.0 112.137 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 80' ' ' PHE . 28.7 mt -84.61 28.14 0.68 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.597 -1.314 . . . . 0.0 109.628 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' A' ' 81' ' ' SER . 4.2 m-70 -74.91 -40.08 61.08 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 109.019 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.5 t -77.32 143.58 12.69 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -90.03 70.06 7.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.091 -1.005 . . . . 0.0 109.632 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.9 174.83 10.05 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.3 p -93.57 160.91 14.57 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.016 -1.052 . . . . 0.0 109.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -86.69 153.71 21.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.038 -1.039 . . . . 0.0 109.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -130.01 160.34 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.414 -0.804 . . . . 0.0 109.691 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.463 ' OE2' ' SD ' ' A' ' 33' ' ' MET . 72.0 mm-40 -63.26 142.34 58.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.22 -0.925 . . . . 0.0 109.344 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.36 -39.99 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.63 53.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.088 -1.007 . . . . 0.0 110.121 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -77.21 -29.95 54.48 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.094 -1.004 . . . . 0.0 109.124 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -59.97 -49.66 76.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.133 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.4 t -63.77 -45.78 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.392 -0.818 . . . . 0.0 109.75 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.04 -47.98 83.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.307 -0.871 . . . . 0.0 110.229 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.93 -41.95 92.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.879 -1.138 . . . . 0.0 109.616 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.55 -37.57 88.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.987 . . . . 0.0 109.495 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.77 -46.98 81.13 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.408 -0.808 . . . . 0.0 111.626 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.587 HD22 ' H ' ' A' ' 101' ' ' LEU . 3.1 mm? -60.03 -40.08 88.11 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.397 -1.439 . . . . 0.0 109.484 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -68.66 -39.67 80.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.853 -1.154 . . . . 0.0 110.924 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.0 mt -58.9 -50.13 75.18 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.505 -1.372 . . . . 0.0 110.432 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -68.84 -23.15 64.21 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.822 -1.174 . . . . 0.0 109.866 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -66.1 -50.21 64.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 0.0 110.944 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 3.2 mm? -61.04 -25.02 66.63 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.772 -1.205 . . . . 0.0 110.198 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.91 -40.89 90.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.927 -1.108 . . . . 0.0 111.176 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtm-85 -65.05 -31.57 72.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.775 -1.203 . . . . 0.0 110.57 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -84.35 -13.55 52.04 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.683 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.9 3.85 24.33 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.83 94.39 8.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.123 -1.222 . . . . 0.0 108.54 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -89.64 147.3 23.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.498 -0.752 . . . . 0.0 110.401 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.4 m120 . . . . . 0 C--N 1.305 -1.361 0 O-C-N 121.433 -0.792 . . . . 0.0 109.316 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.1 mmm . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -74.35 172.13 52.35 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' A' ' 2' ' ' GLY . 24.4 Cg_exo -43.2 169.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.286 1.324 . . . . 0.0 111.842 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -79.55 147.53 67.86 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 120.987 -1.071 . . . . 0.0 109.319 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -50.07 170.19 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.847 1.031 . . . . 0.0 112.102 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.39 -53.1 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.316 1.344 . . . . 0.0 112.749 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.8 p -62.15 -37.13 84.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -66.58 -39.97 88.72 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.139 -0.976 . . . . 0.0 109.772 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.218 -0.926 . . . . 0.0 109.608 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.99 -49.64 76.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.384 -0.823 . . . . 0.0 110.124 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -59.99 -45.26 93.29 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.32 -37.78 84.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.325 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.3 tp -69.76 -44.81 69.43 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.861 . . . . 0.0 110.146 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.68 -44.78 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.03 -1.044 . . . . 0.0 109.956 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -40.52 89.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.214 -0.929 . . . . 0.0 110.533 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -71.26 -45.01 64.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.039 -1.038 . . . . 0.0 110.909 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.46 -41.15 96.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.003 -1.06 . . . . 0.0 110.014 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.3 -42.87 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.121 -0.987 . . . . 0.0 110.016 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.09 -44.81 94.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.321 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 pt -77.45 -12.98 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.925 -1.11 . . . . 0.0 111.823 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -98.66 -29.09 13.23 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 120.649 -1.282 . . . . 0.0 110.186 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -74.27 -40.0 62.62 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -0.979 . . . . 0.0 111.328 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -97.52 19.32 13.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.102 -0.999 . . . . 0.0 111.061 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CG ' ' A' ' 24' ' ' GLN . 13.8 pt20 -82.26 119.17 23.76 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.71 -1.244 . . . . 0.0 109.257 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -80.01 -70.33 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.844 -1.16 . . . . 0.0 108.206 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.26 154.01 66.31 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -46.02 163.14 0.1 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 CA-C-N 119.206 0.752 . . . . 0.0 111.565 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD21 ' OE1' ' A' ' 24' ' ' GLN . 92.8 mt -68.02 -19.74 64.94 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.154 -0.966 . . . . 0.0 109.887 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.8 m -146.14 174.7 11.08 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.038 -1.039 . . . . 0.0 109.296 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.63 63.77 0.11 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.0 -1.063 . . . . 0.0 110.043 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 61.13 28.65 69.35 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 51.6 m -65.21 150.01 48.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.158 -1.201 . . . . 0.0 109.709 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 74.3 mtp -122.84 155.01 37.5 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 m -129.84 159.98 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.345 -0.847 . . . . 0.0 109.36 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 91.9 m95 -73.55 135.45 43.95 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.464 -0.773 . . . . 0.0 109.513 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.9 p -70.03 154.89 41.37 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.219 -0.925 . . . . 0.0 108.668 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.2 pt -136.49 162.59 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.4 -0.813 . . . . 0.0 109.522 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -87.64 120.98 29.5 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -79.89 114.45 18.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.061 -1.024 . . . . 0.0 109.506 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 ' H ' ' HG2' ' A' ' 43' ' ' MET . 60.5 p -144.01 -114.86 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.475 -0.766 . . . . 0.0 109.228 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.97 -77.03 0.41 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.143 -0.973 . . . . 0.0 110.657 -179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.22 46.01 0.1 OUTLIER Glycine 0 N--CA 1.496 2.668 0 O-C-N 121.396 -0.815 . . . . 0.0 111.074 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.538 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.9 mtm -61.38 -39.96 92.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.9 -1.353 . . . . 0.0 109.095 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -60.01 -41.8 92.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.595 -0.691 . . . . 0.0 109.192 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -54.3 22.51 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.398 -0.814 . . . . 0.0 109.035 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 49' ' ' GLU . . . -63.5 -40.16 96.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.433 -0.792 . . . . 0.0 110.086 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.99 87.87 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.63 -1.294 . . . . 0.0 109.829 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.99 -50.67 72.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 110.967 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 50' ' ' SER . 1.4 pp20? -59.62 -40.0 86.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.023 -1.048 . . . . 0.0 110.884 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.531 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 21.5 t -60.71 -39.93 90.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.506 -1.371 . . . . 0.0 109.164 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.9 -30.26 67.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.301 -0.875 . . . . 0.0 110.048 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 mm -54.34 -15.87 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.918 -1.114 . . . . 0.0 109.4 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -83.94 -24.73 30.57 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.911 -1.118 . . . . 0.0 108.904 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.4 119.32 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.245 -0.909 . . . . 0.0 109.079 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.5 m -129.41 155.51 45.56 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.426 -0.796 . . . . 0.0 109.995 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.98 75.91 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -97.27 99.64 11.1 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.082 -1.246 . . . . 0.0 109.563 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -67.41 -36.31 81.03 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.259 -0.901 . . . . 0.0 109.662 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.45 -17.19 0.26 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.887 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.3 pt -127.09 -5.99 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.02 -1.05 . . . . 0.0 109.849 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.02 -46.29 89.97 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.096 -1.003 . . . . 0.0 109.098 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -62.05 -36.04 80.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 0.0 109.054 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.98 -39.88 87.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.569 -0.707 . . . . 0.0 109.666 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -59.98 -40.81 90.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.887 -1.133 . . . . 0.0 109.721 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -62.02 -48.43 80.34 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.001 -1.062 . . . . 0.0 109.01 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.88 -40.48 97.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.456 -0.777 . . . . 0.0 110.033 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.06 -40.0 91.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 108.745 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 m -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.29 -24.02 9.5 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -94.96 -20.0 19.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.136 -1.214 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.625 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.0 t -138.89 101.39 7.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.258 -0.901 . . . . 0.0 109.857 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -57.0 37.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.505 2.187 0 C-N-CA 121.51 1.473 . . . . 0.0 112.724 178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.625 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -92.56 102.97 15.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.055 -1.028 . . . . 0.0 111.279 -177.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -80.3 93.53 5.94 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.7 t -95.99 128.8 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 -177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.451 ' C ' ' H ' ' A' ' 78' ' ' GLY . 58.4 m -100.33 160.19 14.53 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.71 -4.99 0.33 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.903 -1.123 . . . . 0.0 109.551 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -104.3 -27.53 6.13 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -91.54 127.86 37.15 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.124 -1.221 . . . . 0.0 109.975 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.99 149.88 51.51 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.546 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 70.3 m -123.19 -48.52 1.97 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.459 -0.776 . . . . 0.0 111.622 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.5 t -99.22 -4.13 32.69 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.889 -1.132 . . . . 0.0 112.368 -177.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.9 mp -86.24 25.42 1.18 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.391 -1.443 . . . . 0.0 109.772 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.546 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.7 m-70 -75.12 -40.06 60.11 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 108.708 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 t -77.25 151.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.612 -0.68 . . . . 0.0 109.241 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -89.92 70.06 7.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.324 -0.86 . . . . 0.0 109.067 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.53 170.39 15.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.425 -0.797 . . . . 0.0 109.407 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.8 p -90.68 156.64 17.95 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.079 -1.013 . . . . 0.0 109.35 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -85.69 158.86 19.95 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.286 -0.884 . . . . 0.0 110.025 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 90' ' ' ILE . 27.3 pt -136.76 159.97 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.95 144.97 56.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.167 -0.958 . . . . 0.0 109.564 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 72.3 t -57.2 -40.67 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.77 -40.03 62.8 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.886 . . . . 0.0 109.857 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.27 -37.39 63.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.935 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.97 -48.34 82.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.465 -0.772 . . . . 0.0 109.961 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.44 -49.09 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.954 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.96 -42.64 99.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.281 -0.887 . . . . 0.0 110.497 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.03 -40.98 91.2 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.847 -1.158 . . . . 0.0 109.181 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.25 -36.4 84.02 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.458 -0.777 . . . . 0.0 109.389 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -42.2 80.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.537 -0.727 . . . . 0.0 110.983 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.85 -40.46 92.97 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.32 -1.487 . . . . 0.0 109.383 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -69.92 -40.03 75.8 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.845 -1.159 . . . . 0.0 111.18 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 98.2 mt -58.75 -48.39 81.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.457 -1.402 . . . . 0.0 110.344 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -66.83 -29.95 70.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.827 -1.17 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -66.36 -43.86 84.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.007 -1.058 . . . . 0.0 110.846 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -33.84 73.68 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.809 -1.182 . . . . 0.0 109.775 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.98 -41.75 92.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.965 -1.084 . . . . 0.0 110.178 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -64.03 -27.7 69.29 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.092 -1.005 . . . . 0.0 109.328 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.42 -33.93 36.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 109.612 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.92 81.93 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -94.45 97.2 10.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.138 -1.213 . . . . 0.0 108.8 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -90.3 139.86 30.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.597 -0.69 . . . . 0.0 109.97 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.448 -0.782 . . . . 0.0 109.47 -179.82 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.277 0.561 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.21 162.31 54.17 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -47.84 136.75 22.32 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.375 1.384 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.33 147.37 56.52 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.293 -0.879 . . . . 0.0 109.535 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -64.1 166.59 16.23 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 120.849 1.033 . . . . 0.0 112.571 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -58.1 -44.93 35.09 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.287 1.324 . . . . 0.0 113.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.3 p -61.59 -38.98 89.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.144 -0.973 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.88 -41.16 78.71 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.148 -0.97 . . . . 0.0 109.479 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.19 95.79 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.352 -0.842 . . . . 0.0 109.657 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.14 -47.89 84.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.901 . . . . 0.0 109.483 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -59.99 -43.16 95.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.964 -1.085 . . . . 0.0 108.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.99 -47.84 56.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.525 -0.734 . . . . 0.0 110.476 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.09 -49.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.949 -1.094 . . . . 0.0 110.194 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.95 -40.12 87.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.083 -1.011 . . . . 0.0 111.155 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -71.3 -43.21 67.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.86 -1.15 . . . . 0.0 110.567 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.08 -42.8 95.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.901 -1.125 . . . . 0.0 108.975 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.12 -40.93 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.463 -0.773 . . . . 0.0 109.682 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.118 -0.988 . . . . 0.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 pt -78.45 -17.1 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.755 -1.216 . . . . 0.0 112.156 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 62.2 p -100.5 -21.74 15.24 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.752 -1.217 . . . . 0.0 111.231 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.67 -39.82 50.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.649 -1.282 . . . . 0.0 111.254 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.73 12.61 29.3 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.994 -1.066 . . . . 0.0 110.78 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -81.89 130.0 34.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.787 -1.196 . . . . 0.0 110.284 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -85.38 -77.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.26 164.12 47.19 Favored Pre-proline 0 N--CA 1.493 1.715 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 8.2 Cg_exo -49.66 155.71 3.58 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 120.616 0.877 . . . . 0.0 111.534 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.21 -59.2 3.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.971 -1.081 . . . . 0.0 109.188 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 31' ' ' GLY . 68.9 m -86.83 174.83 8.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.305 -0.872 . . . . 0.0 109.421 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -67.83 51.77 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.291 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.06 25.24 75.87 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 m -64.96 149.72 49.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -1.037 . . . . 0.0 110.35 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mtp -116.76 159.39 22.36 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.02 160.03 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.319 -0.863 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CZ2' ' NZ ' ' A' ' 89' ' ' LYS . 92.2 m95 -73.15 130.31 39.99 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.368 -0.832 . . . . 0.0 109.367 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -69.56 146.03 52.11 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.269 -0.895 . . . . 0.0 108.859 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.2 pt -132.08 163.54 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.401 -0.812 . . . . 0.0 109.591 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -86.39 121.25 28.68 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -76.87 117.14 18.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 108.893 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.487 ' H ' ' HG2' ' A' ' 43' ' ' MET . 42.2 p -142.56 -117.56 0.1 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.739 . . . . 0.0 109.69 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -89.96 -78.46 0.37 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.235 -0.916 . . . . 0.0 110.829 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.79 47.18 0.11 Allowed Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.9 mtm -61.98 -40.02 94.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.208 -1.172 . . . . 0.0 110.063 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -59.21 -47.54 84.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.0 m -67.31 -50.07 61.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.688 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.51 89.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.287 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.93 95.62 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.031 -1.043 . . . . 0.0 109.379 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.95 -50.01 75.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.382 -0.824 . . . . 0.0 110.883 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.47 -35.56 74.33 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.647 -1.283 . . . . 0.0 109.936 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.3 p -64.15 -39.27 93.67 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.819 -1.176 . . . . 0.0 108.601 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.26 -33.84 73.86 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.408 -0.808 . . . . 0.0 109.749 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 52' ' ' ILE . 21.1 mm -52.27 -23.02 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.185 -0.947 . . . . 0.0 109.13 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -81.37 -17.11 50.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 109.524 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -90.53 120.04 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.187 -0.946 . . . . 0.0 109.293 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.2 m -128.1 150.33 50.01 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.59 33.49 10.15 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.3 m -142.83 99.46 3.47 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.091 -1.241 . . . . 0.0 109.776 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -69.67 -35.32 75.04 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.316 -0.865 . . . . 0.0 109.388 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.06 -18.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.549 -0.72 . . . . 0.0 111.18 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.2 pt -121.49 -3.04 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.083 -1.011 . . . . 0.0 109.345 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -60.0 -48.55 81.25 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.72 -38.05 88.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 108.602 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -59.69 -39.91 86.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 109.666 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.01 -41.46 92.19 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.987 -1.07 . . . . 0.0 109.181 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 65' ' ' ARG . 36.0 ttt-85 -63.49 -46.92 83.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.19 -0.944 . . . . 0.0 109.712 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -61.59 -40.58 95.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.964 -1.085 . . . . 0.0 109.365 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.92 -38.12 89.72 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -59.35 -39.97 84.91 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.97 15.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.76 -0.92 44.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.223 -1.163 . . . . 0.0 109.721 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 12.2 t -130.19 80.63 70.4 Favored Pre-proline 0 N--CA 1.499 1.985 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -52.88 10.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.495 1.463 . . . . 0.0 114.408 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.0 p80 -133.14 113.31 12.57 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.973 -1.08 . . . . 0.0 109.021 179.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.31 144.27 44.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.58 -0.7 . . . . 0.0 109.831 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.06 130.62 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.583 -0.698 . . . . 0.0 109.987 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.1 m -92.99 167.84 11.54 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 109.646 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -64.88 -6.41 8.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.333 -0.854 . . . . 0.0 110.468 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.74 -35.79 4.76 Favored Glycine 0 N--CA 1.497 2.755 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -91.54 125.17 36.19 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.386 -1.067 . . . . 0.0 110.075 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 97.8 m-85 -129.31 148.75 51.26 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.54 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 3.2 m -122.99 -32.23 3.52 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 121.249 -0.907 . . . . 0.0 111.813 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.0 t -117.44 5.89 12.56 Favored 'General case' 0 N--CA 1.51 2.555 0 O-C-N 120.92 -1.112 . . . . 0.0 112.095 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.644 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.3 mm? -90.34 13.59 15.05 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.586 -1.321 . . . . 0.0 110.281 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.54 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -74.4 -34.59 63.33 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.77 -1.206 . . . . 0.0 109.488 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.21 144.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.395 -0.816 . . . . 0.0 109.408 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -90.02 70.01 7.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -0.8 . . . . 0.0 109.505 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -84.29 178.39 7.8 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.551 -0.718 . . . . 0.0 109.47 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 m -95.11 148.58 22.21 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.877 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.606 ' NZ ' ' CZ2' ' A' ' 35' ' ' TRP . 57.3 mttp -83.04 150.86 26.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.885 . . . . 0.0 108.939 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.4 pt -132.05 159.99 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.345 -0.847 . . . . 0.0 109.684 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.58 144.69 56.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.263 -0.898 . . . . 0.0 109.958 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -56.29 -40.05 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.47 -41.05 69.05 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.057 -1.027 . . . . 0.0 109.989 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -75.13 -35.82 61.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.15 -0.969 . . . . 0.0 109.328 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.98 -49.68 76.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.449 -0.782 . . . . 0.0 109.89 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.75 -47.45 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.317 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.03 -46.4 89.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.874 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.821 -1.174 . . . . 0.0 109.113 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.51 -37.64 88.06 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.397 -0.815 . . . . 0.0 109.326 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.1 tp -56.26 -41.47 75.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.31 -0.869 . . . . 0.0 110.842 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -59.96 -40.95 90.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.365 -1.459 . . . . 0.0 109.365 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -71.1 -39.98 71.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.95 -49.94 75.72 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.53 -1.356 . . . . 0.0 110.475 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -66.57 -29.53 69.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.931 -1.105 . . . . 0.0 110.073 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -64.32 -47.66 78.55 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.317 -0.864 . . . . 0.0 111.027 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.52 -29.11 69.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.742 -1.224 . . . . 0.0 109.866 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.01 -39.97 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.709 -1.245 . . . . 0.0 109.936 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.03 -33.93 72.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.115 -0.991 . . . . 0.0 109.764 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -84.35 -13.65 51.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 0.0 109.95 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 2.87 10.05 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 111' ' ' ARG . 53.1 mtt-85 -96.08 99.14 10.92 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.192 -1.181 . . . . 0.0 108.847 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.421 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 50.2 m-85 -94.05 140.11 30.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.616 -0.678 . . . . 0.0 109.993 -179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 96.6 m-20 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.468 -0.77 . . . . 0.0 109.613 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.95 168.74 54.08 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -42.78 162.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 120.98 1.12 . . . . 0.0 111.825 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.3 t -80.49 129.46 68.81 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.164 -0.96 . . . . 0.0 109.121 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -56.48 164.56 5.41 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 CA-C-N 120.019 1.042 . . . . 0.0 112.063 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -66.97 -54.48 0.4 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.52 1.48 . . . . 0.0 112.428 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.5 p -60.11 -39.91 87.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.408 -0.808 . . . . 0.0 109.736 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.0 m -68.0 -40.66 82.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.192 -0.942 . . . . 0.0 109.916 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.87 97.06 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.171 -0.956 . . . . 0.0 108.965 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.394 -0.816 . . . . 0.0 108.948 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -60.02 -42.94 95.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.943 -1.098 . . . . 0.0 109.549 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -60.27 -39.64 87.55 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.9 tp -71.02 -46.26 62.46 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.604 -0.685 . . . . 0.0 109.907 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.23 -49.85 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.007 -1.058 . . . . 0.0 110.022 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -60.14 -41.4 92.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.327 -0.858 . . . . 0.0 111.242 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -70.84 -42.14 70.58 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.811 -1.181 . . . . 0.0 110.288 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.43 -42.55 96.3 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.007 -1.058 . . . . 0.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.61 -41.26 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.187 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.06 -40.04 88.1 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.247 -0.908 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.21 -19.56 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.832 -1.167 . . . . 0.0 112.025 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.447 HG21 HG11 ' A' ' 96' ' ' VAL . 46.2 p -97.71 -22.38 16.47 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.694 -1.254 . . . . 0.0 110.49 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -76.73 -40.4 48.69 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.873 -1.142 . . . . 0.0 110.895 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.8 13.57 22.03 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.162 -0.961 . . . . 0.0 110.447 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -83.61 130.82 34.99 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.988 -1.07 . . . . 0.0 109.888 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -88.93 -80.09 0.3 Allowed 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -84.73 160.27 56.27 Favored Pre-proline 0 N--CA 1.492 1.648 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 13.7 Cg_exo -46.89 140.05 13.61 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 120.3 0.667 . . . . 0.0 110.745 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.76 -50.22 74.34 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.737 -1.227 . . . . 0.0 108.9 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' GLY . 69.3 m -85.81 166.25 16.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.301 -0.874 . . . . 0.0 109.313 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -68.35 39.81 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.439 -0.788 . . . . 0.0 109.246 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 80.59 25.46 56.53 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -64.61 144.93 56.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -1.126 . . . . 0.0 110.445 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mtp -112.79 156.67 22.46 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.96 160.11 41.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.27 -0.894 . . . . 0.0 109.973 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -71.52 134.43 46.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.632 -0.667 . . . . 0.0 109.707 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -70.06 148.05 49.28 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.23 160.69 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.404 -0.81 . . . . 0.0 109.483 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 38' ' ' ASN . 34.0 p-10 -84.4 119.23 24.88 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.626 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.0 mm? -80.4 109.96 15.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.097 -1.002 . . . . 0.0 108.965 -178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.448 ' H ' ' HG2' ' A' ' 43' ' ' MET . 68.7 p -144.26 -100.62 0.11 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.253 -0.904 . . . . 0.0 110.093 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -101.54 -77.63 0.54 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.434 -0.791 . . . . 0.0 110.826 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.47 48.38 0.2 Allowed Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 70.2 mtm -64.0 -37.96 89.31 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.307 -1.114 . . . . 0.0 109.554 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -59.45 -50.01 75.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.448 -0.782 . . . . 0.0 110.124 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.7 m -66.97 -45.84 76.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -45.63 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.323 -0.861 . . . . 0.0 109.408 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.75 97.21 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.301 -0.875 . . . . 0.0 109.939 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.28 -50.04 75.22 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.29 -0.881 . . . . 0.0 111.11 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.05 -38.3 82.36 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.668 -1.27 . . . . 0.0 110.679 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.2 t -62.61 -40.07 95.79 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.845 -1.159 . . . . 0.0 108.952 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.83 -33.8 72.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.924 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 15.6 mm -54.83 -15.97 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.142 -0.974 . . . . 0.0 109.507 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -84.25 -15.73 45.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.006 -1.059 . . . . 0.0 108.721 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.49 126.03 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.421 -0.799 . . . . 0.0 109.431 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -129.62 151.68 49.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.495 -0.753 . . . . 0.0 109.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.08 -9.97 75.6 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.73 89.45 4.63 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.05 -1.264 . . . . 0.0 109.452 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.1 t -76.68 -25.9 54.17 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.58 -16.3 0.36 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.452 -0.78 . . . . 0.0 109.994 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 pt -119.54 9.78 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.367 -0.833 . . . . 0.0 109.436 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.87 -43.06 94.94 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.41 -39.97 89.29 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -59.81 -40.37 88.14 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 109.843 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.94 -43.45 98.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.0 -1.062 . . . . 0.0 109.814 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.62 ' CG ' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -62.66 -47.92 81.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.2 -0.937 . . . . 0.0 109.844 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.1 mtm -61.94 -41.57 98.12 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.838 -1.164 . . . . 0.0 109.961 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 67' ' ' LEU . 89.5 mt -61.22 -39.88 91.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.969 -1.082 . . . . 0.0 108.262 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 71' ' ' CYS . 54.8 m -59.76 -38.88 83.04 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.39 -31.71 13.84 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -94.25 -14.6 25.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -1.192 . . . . 0.0 108.217 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 11.6 t -142.17 77.33 18.11 Favored Pre-proline 0 N--CA 1.492 1.643 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -74.9 31.61 0.36 Allowed 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.29 1.327 . . . . 0.0 113.288 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -92.07 147.58 22.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.738 -1.226 . . . . 0.0 109.462 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -77.51 125.83 29.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.737 -1.227 . . . . 0.0 109.033 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 59.5 t -116.46 127.94 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.53 -0.731 . . . . 0.0 109.532 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.6 m -108.52 151.56 25.93 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 109.407 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -59.41 -15.15 15.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.285 -0.884 . . . . 0.0 109.051 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.94 -23.4 20.51 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.41 125.3 37.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.218 -1.166 . . . . 0.0 110.075 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 81.1 m-85 -130.25 150.04 51.67 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.606 -0.684 . . . . 0.0 109.187 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.531 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 14.4 m -122.43 -48.35 2.07 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.398 -0.814 . . . . 0.0 111.747 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -99.21 -4.39 32.15 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.813 -1.179 . . . . 0.0 112.307 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.6 ' N ' HD12 ' A' ' 83' ' ' LEU . 8.5 mp -84.49 26.18 0.82 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.455 -1.403 . . . . 0.0 109.509 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.3 m-70 -76.69 -40.04 50.12 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.351 -0.843 . . . . 0.0 109.672 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.6 t -74.91 151.52 6.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.41 71.39 9.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 109.498 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -84.36 170.36 13.69 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.571 0.7 . . . . 0.0 109.621 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 88' ' ' THR . 1.9 t -95.01 157.0 16.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 109.413 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -83.15 152.15 25.4 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.132 -0.98 . . . . 0.0 109.41 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.97 157.78 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.465 -0.772 . . . . 0.0 109.39 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.91 144.91 55.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.22 -0.925 . . . . 0.0 109.937 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.31 -39.97 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.333 -0.855 . . . . 0.0 109.299 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.11 -41.73 60.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 109.615 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -75.4 -36.77 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -59.99 -47.0 87.64 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.462 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 21' ' ' THR . 95.6 t -62.32 -50.02 81.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.156 -0.965 . . . . 0.0 110.092 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.37 -41.09 96.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.186 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.06 -42.72 95.13 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 120.771 -1.206 . . . . 0.0 108.373 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 tp -64.47 -36.78 85.28 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.637 -0.664 . . . . 0.0 109.394 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.5 tp -56.39 -45.49 80.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.304 -0.873 . . . . 0.0 111.087 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.2 mm? -60.12 -42.56 95.0 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.699 -1.251 . . . . 0.0 110.143 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -70.15 -39.72 75.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.848 -1.158 . . . . 0.0 111.197 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.82 -51.87 68.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.448 -1.408 . . . . 0.0 110.173 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -66.97 -25.31 66.27 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.945 -1.097 . . . . 0.0 110.348 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -65.87 -47.31 75.31 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.987 -1.071 . . . . 0.0 110.738 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.07 -29.65 68.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.871 -1.143 . . . . 0.0 109.326 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.9 -39.95 87.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.358 -0.839 . . . . 0.0 109.379 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.06 -37.28 79.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.515 -0.741 . . . . 0.0 109.729 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -83.16 -13.0 56.41 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.959 -1.088 . . . . 0.0 109.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.73 8.5 27.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -97.95 93.25 6.21 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -1.148 . . . . 0.0 108.708 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.25 141.33 28.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.624 -0.672 . . . . 0.0 109.929 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.471 -0.768 . . . . 0.0 109.479 -179.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.71 167.84 50.16 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.7 Cg_exo -42.56 170.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 121.44 1.427 . . . . 0.0 112.474 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 4' ' ' VAL . 5.3 m -80.43 149.31 68.43 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -50.91 170.02 0.15 Allowed 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 120.934 1.09 . . . . 0.0 112.087 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -70.12 -61.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.138 1.225 . . . . 0.0 112.65 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.2 p -61.64 -36.56 81.14 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.356 -0.84 . . . . 0.0 110.489 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -65.85 -40.03 91.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.01 -1.056 . . . . 0.0 110.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.21 97.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.14 -0.975 . . . . 0.0 109.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 tp -61.23 -46.25 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.236 -0.915 . . . . 0.0 109.098 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.04 -45.1 93.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 0.0 108.705 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.22 -40.02 94.75 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.477 -0.764 . . . . 0.0 109.374 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.7 -45.49 71.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.0 109.795 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.63 -48.16 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.082 -1.011 . . . . 0.0 110.088 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -40.12 88.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.21 -0.931 . . . . 0.0 110.738 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -71.29 -47.94 53.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.839 -1.163 . . . . 0.0 110.225 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' THR . 95.3 mt -60.96 -43.12 99.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.025 -1.047 . . . . 0.0 109.664 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.5 t -65.15 -43.67 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.099 -1.001 . . . . 0.0 110.07 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -60.06 -46.04 90.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.091 -1.006 . . . . 0.0 110.991 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 20' ' ' ILE . 14.0 pt -79.37 -11.1 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.916 -1.115 . . . . 0.0 111.41 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' LEU . 46.4 p -100.49 -21.52 15.32 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.602 -1.312 . . . . 0.0 110.149 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 92.1 mt-30 -76.6 -33.33 58.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.788 -1.195 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -96.44 1.62 51.79 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.108 -0.995 . . . . 0.0 111.105 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.12 127.72 32.65 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.627 -1.296 . . . . 0.0 109.513 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.39 -80.06 0.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.063 -1.023 . . . . 0.0 108.48 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.52 163.28 50.37 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 14.8 Cg_exo -46.8 137.51 16.01 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 120.71 0.94 . . . . 0.0 111.573 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.55 -41.47 98.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.98 -1.075 . . . . 0.0 109.349 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' GLY . 63.9 m -83.77 164.69 19.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.231 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.61 44.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.85 . . . . 0.0 109.987 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.94 20.64 67.46 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.2 m -62.99 147.34 50.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -1.12 . . . . 0.0 110.006 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.7 mtp -118.12 154.71 31.66 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -130.03 160.07 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 O-C-N 121.363 -0.835 . . . . 0.0 109.535 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.405 ' CG ' HD22 ' A' ' 83' ' ' LEU . 93.8 m95 -72.68 132.21 43.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.334 -0.854 . . . . 0.0 110.325 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.1 t -71.28 141.39 50.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.37 -0.831 . . . . 0.0 108.988 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.6 pt -131.21 164.01 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.41 -0.806 . . . . 0.0 109.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.3 mm? -80.76 115.12 20.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.496 ' O ' ' SD ' ' A' ' 43' ' ' MET . 10.0 p -149.03 -104.78 0.08 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.642 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.06 -79.02 0.35 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.214 -0.929 . . . . 0.0 110.306 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.8 46.36 0.16 Allowed Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.0 mtp -59.97 -50.08 75.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -1.17 . . . . 0.0 109.621 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -60.36 -42.62 96.15 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.528 -0.733 . . . . 0.0 110.1 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.1 m -64.55 -54.1 37.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.239 -0.913 . . . . 0.0 109.126 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.54 85.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.474 -0.766 . . . . 0.0 110.214 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.41 90.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.823 -1.173 . . . . 0.0 110.225 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.02 -50.04 75.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.02 -1.05 . . . . 0.0 110.899 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.3 pt-20 -59.9 -38.41 82.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.727 -1.233 . . . . 0.0 110.367 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -40.06 88.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.883 -1.136 . . . . 0.0 109.821 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' HE22 ' A' ' 64' ' ' GLN . 88.5 mt -69.92 -35.38 74.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 0.0 110.038 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.9 mm -53.27 -15.18 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.184 -0.947 . . . . 0.0 109.422 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.554 HD21 HD11 ' A' ' 83' ' ' LEU . 99.0 m-20 -84.59 -13.77 50.72 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.027 . . . . 0.0 109.287 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 t -94.07 124.69 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 m -129.44 154.01 47.38 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.461 -0.774 . . . . 0.0 109.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.79 -7.37 79.38 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.8 m -100.72 93.51 5.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.325 -1.103 . . . . 0.0 109.593 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.6 t -70.03 -38.11 75.77 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.364 -0.835 . . . . 0.0 110.712 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.24 7.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 111.448 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.3 pt -102.31 -3.7 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.909 -1.119 . . . . 0.0 111.223 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -59.99 -41.82 92.85 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.501 -1.374 . . . . 0.0 108.626 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -60.21 -39.33 86.21 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.146 -0.972 . . . . 0.0 108.642 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.9 m -59.85 -38.52 82.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.132 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' A' ' 51' ' ' LEU . 52.6 mm-40 -59.76 -42.24 92.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.019 . . . . 0.0 109.656 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.15 -46.53 88.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.966 -1.084 . . . . 0.0 109.971 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.73 -39.99 95.65 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.277 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.34 -40.01 94.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 110.074 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.07 -39.96 87.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.106 -0.996 . . . . 0.0 109.268 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.93 -25.61 5.23 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -95.44 -16.06 22.54 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.994 -1.298 . . . . 0.0 110.204 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 73' ' ' HIS . 8.7 t -143.84 98.89 5.2 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.059 -1.026 . . . . 0.0 109.903 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -58.59 37.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.557 1.505 . . . . 0.0 112.33 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -90.05 109.56 20.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.089 -1.007 . . . . 0.0 111.707 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -81.55 92.1 6.47 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -93.28 132.78 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.145 -0.972 . . . . 0.0 110.37 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 m -105.16 155.63 18.85 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -9.17 1.55 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.093 -1.005 . . . . 0.0 109.773 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.04 -31.03 4.89 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -92.64 123.71 36.13 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -1.193 . . . . 0.0 110.019 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.607 ' CD1' HD12 ' A' ' 83' ' ' LEU . 94.2 m-85 -129.68 151.13 50.61 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -122.41 -37.29 2.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.512 -0.742 . . . . 0.0 111.512 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.537 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 11.9 t -108.07 4.43 25.02 Favored 'General case' 0 N--CA 1.508 2.434 0 O-C-N 120.979 -1.075 . . . . 0.0 112.535 -177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 80' ' ' PHE . 47.6 mt -87.71 12.1 13.62 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.339 -1.476 . . . . 0.0 109.908 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.492 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.6 m-70 -76.5 -19.57 57.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.869 -1.144 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.15 144.82 12.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.364 -0.835 . . . . 0.0 109.108 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.09 52.26 2.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.083 -1.011 . . . . 0.0 109.49 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.01 166.55 19.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 109.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -89.39 158.06 17.91 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.0 108.746 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -83.81 151.95 24.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.019 -1.051 . . . . 0.0 108.822 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.8 pt -130.0 159.96 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.59 -0.694 . . . . 0.0 109.443 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.51 143.48 57.64 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.858 . . . . 0.0 109.515 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.88 -40.0 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.274 -0.891 . . . . 0.0 109.57 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.79 -41.84 57.46 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.932 . . . . 0.0 110.325 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -77.9 -33.1 52.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.999 -1.063 . . . . 0.0 109.336 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.98 -48.88 79.88 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.0 108.909 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.78 -46.96 95.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.34 -0.85 . . . . 0.0 109.482 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.41 -45.34 93.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.144 -0.973 . . . . 0.0 110.195 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -60.13 -41.05 91.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.753 -1.217 . . . . 0.0 109.003 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.23 -39.4 94.51 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.583 -0.698 . . . . 0.0 109.349 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.4 tp -56.43 -46.68 80.15 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.526 -0.734 . . . . 0.0 111.041 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.02 -40.42 89.23 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.388 -1.445 . . . . 0.0 109.499 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -70.25 -39.53 74.94 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.027 -1.046 . . . . 0.0 111.393 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -58.84 -47.9 83.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.524 -1.36 . . . . 0.0 110.152 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.4 -25.98 65.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.709 -1.245 . . . . 0.0 110.275 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.64 -49.18 72.03 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.116 -0.99 . . . . 0.0 110.971 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.4 mm? -61.04 -30.47 70.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.643 -1.286 . . . . 0.0 109.1 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.279 -0.888 . . . . 0.0 109.059 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -59.88 -38.21 81.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -86.34 -10.29 54.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.009 -1.057 . . . . 0.0 110.459 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.67 12.73 62.31 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -97.47 106.04 18.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.13 -1.218 . . . . 0.0 108.623 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -100.03 137.48 38.43 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.328 -0.857 . . . . 0.0 110.524 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.862 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.26 160.2 53.48 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -48.15 156.5 1.52 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.08 1.187 . . . . 0.0 111.95 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -81.71 137.83 47.4 Favored Pre-proline 0 N--CA 1.487 1.424 0 O-C-N 121.128 -0.983 . . . . 0.0 108.756 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -63.84 164.01 23.1 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 CA-C-N 119.936 1.013 . . . . 0.0 112.168 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -60.83 -47.89 12.04 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.353 1.369 . . . . 0.0 113.351 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.7 p -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 109.674 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -68.15 -40.01 82.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.033 -1.042 . . . . 0.0 108.97 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.0 91.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.748 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.5 -47.62 78.24 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 108.863 179.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -60.0 -44.73 94.36 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -37.83 86.04 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.553 -0.717 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.84 -41.84 74.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 110.19 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.85 -44.24 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.806 -1.184 . . . . 0.0 109.626 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.97 -42.89 95.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.249 -0.907 . . . . 0.0 110.517 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -70.0 -42.83 72.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.084 -1.01 . . . . 0.0 110.207 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.39 -42.09 99.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.04 -1.038 . . . . 0.0 109.47 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.63 -40.02 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.418 -0.801 . . . . 0.0 109.685 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.92 -41.77 92.47 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.35 -0.843 . . . . 0.0 111.427 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.7 pt -80.61 -18.01 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.891 -1.131 . . . . 0.0 112.657 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.3 p -100.78 -20.62 15.47 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 120.539 -1.351 . . . . 0.0 111.929 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.14 -38.09 63.85 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.372 -1.455 . . . . 0.0 110.949 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -94.63 4.68 53.54 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.032 -1.042 . . . . 0.0 111.479 -178.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.542 ' N ' HD22 ' A' ' 23' ' ' ASN . 10.4 pt20 -83.04 130.02 35.09 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.457 -1.402 . . . . 0.0 110.329 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -86.02 -79.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.66 163.06 55.8 Favored Pre-proline 0 N--CA 1.49 1.549 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 177.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 12.5 Cg_exo -48.04 150.59 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 120.593 0.862 . . . . 0.0 111.699 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.17 -50.17 72.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.004 -1.06 . . . . 0.0 109.49 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.1 m -83.79 165.76 18.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 108.919 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -68.34 54.4 0.08 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.156 -0.965 . . . . 0.0 109.186 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 71.97 29.78 66.51 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.6 m -63.09 142.27 58.45 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.15 -1.206 . . . . 0.0 110.241 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.9 mmm -108.28 148.06 30.55 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.97 159.95 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.261 0 O-C-N 121.286 -0.884 . . . . 0.0 110.19 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -75.13 130.2 38.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.9 p -70.31 153.02 43.51 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.281 -0.887 . . . . 0.0 108.76 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt -137.3 164.84 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.186 -0.946 . . . . 0.0 109.617 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -86.6 118.29 25.92 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -78.19 118.14 20.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.488 -178.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.418 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.3 p -149.1 -96.72 0.07 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.286 -0.883 . . . . 0.0 109.915 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.87 -67.5 0.98 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.439 -0.788 . . . . 0.0 110.415 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.74 38.2 0.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.514 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.5 mtm -61.01 -43.04 99.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.238 . . . . 0.0 110.12 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -60.75 -43.99 97.26 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 109.554 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.9 m -67.54 -55.35 13.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.68 92.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.457 -0.777 . . . . 0.0 110.116 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.04 82.68 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.112 -0.993 . . . . 0.0 109.82 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.08 -50.44 73.72 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.2 -0.938 . . . . 0.0 110.868 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.03 -39.96 87.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.711 -1.243 . . . . 0.0 111.075 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.6 m -60.21 -40.03 88.7 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.716 -1.24 . . . . 0.0 109.304 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.93 -31.89 69.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.152 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 52' ' ' ILE . 25.3 mm -58.42 -16.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.907 -1.12 . . . . 0.0 108.908 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -82.43 -14.5 55.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.07 -1.019 . . . . 0.0 109.086 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -90.15 124.2 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.273 -0.892 . . . . 0.0 109.196 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 73.3 m -127.68 150.31 49.82 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.537 -0.727 . . . . 0.0 109.597 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.13 32.88 24.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.0 m -141.62 93.81 2.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.388 -1.066 . . . . 0.0 109.053 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -70.06 -34.21 72.92 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.789 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -22.81 3.87 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.453 -0.779 . . . . 0.0 111.242 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.7 pt -106.94 -8.97 10.66 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 O-C-N 121.007 -1.058 . . . . 0.0 110.835 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.9 -41.99 92.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.621 -1.3 . . . . 0.0 108.276 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -64.17 -40.03 95.25 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.5 m -60.09 -41.85 93.38 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.718 -0.614 . . . . 0.0 109.799 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.02 -43.38 95.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.168 -0.958 . . . . 0.0 110.115 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -62.74 -46.43 88.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.0 -1.063 . . . . 0.0 109.911 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.4 -39.98 95.01 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.148 -0.97 . . . . 0.0 109.852 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.25 -40.22 95.46 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.95 -1.094 . . . . 0.0 108.789 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -59.97 -39.98 87.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 108.949 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.04 -27.8 11.21 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -93.68 -16.06 24.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.138 -1.213 . . . . 0.0 109.766 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' A' ' 73' ' ' HIS . 10.3 t -141.04 99.99 6.53 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -58.31 38.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 121.463 1.442 . . . . 0.0 112.327 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.4 OUTLIER -89.73 109.06 20.07 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.055 -1.028 . . . . 0.0 111.253 -177.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -80.2 93.82 5.93 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.26 129.28 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.187 -0.945 . . . . 0.0 110.632 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 78' ' ' GLY . 9.1 t -104.27 149.53 25.24 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.64 -7.66 0.45 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.002 -1.061 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -103.33 -24.91 7.64 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -94.33 124.31 38.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.115 -1.226 . . . . 0.0 110.086 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -129.69 147.65 51.49 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 30.8 m -122.51 -49.29 2.03 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.324 -0.86 . . . . 0.0 111.859 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 t -93.68 0.16 56.32 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.787 -1.195 . . . . 0.0 112.525 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.2 mp -85.89 18.03 3.17 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.486 -1.384 . . . . 0.0 109.915 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.3 m-70 -74.6 -38.85 62.48 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.978 -1.076 . . . . 0.0 109.574 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.4 t -74.87 152.56 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 109.557 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -88.54 69.99 8.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.248 -0.907 . . . . 0.0 109.563 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -83.18 169.06 16.21 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.487 -0.758 . . . . 0.0 108.964 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.9 p -94.34 155.97 16.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.993 -1.067 . . . . 0.0 108.983 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -88.6 151.88 22.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.16 -0.963 . . . . 0.0 110.145 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 pt -131.31 160.01 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.617 -0.677 . . . . 0.0 109.299 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.22 144.6 56.53 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.54 -39.98 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 108.959 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.08 64.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.285 -0.884 . . . . 0.0 109.891 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -74.54 -38.44 62.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.181 -0.949 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.95 -48.41 81.8 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.624 -0.673 . . . . 0.0 109.848 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.8 -48.6 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.961 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.43 -42.16 98.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.9 . . . . 0.0 110.041 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -60.11 -41.18 92.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.671 -1.268 . . . . 0.0 108.825 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.0 tp -63.81 -39.96 95.48 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.651 -0.656 . . . . 0.0 109.464 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.67 -44.61 73.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.385 -0.822 . . . . 0.0 110.847 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 2.7 mm? -60.44 -45.09 94.92 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.788 -1.195 . . . . 0.0 109.84 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -68.81 -38.97 80.28 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.92 -1.113 . . . . 0.0 111.032 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -57.44 -52.95 63.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.507 -1.37 . . . . 0.0 110.879 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -69.84 -20.11 63.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.56 -1.337 . . . . 0.0 109.978 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -64.24 -50.2 68.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.108 . . . . 0.0 110.353 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.9 mm? -63.7 -24.77 67.91 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.088 -1.008 . . . . 0.0 110.067 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.99 -40.03 87.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.982 -1.074 . . . . 0.0 110.46 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -60.88 -39.53 89.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.01 -1.056 . . . . 0.0 110.315 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.82 -10.88 57.74 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.949 -1.094 . . . . 0.0 110.169 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.31 6.12 60.79 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -95.76 100.67 12.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.127 -1.219 . . . . 0.0 108.468 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -94.54 120.54 34.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.145 -0.972 . . . . 0.0 110.571 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 0.0 109.434 179.459 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.33 0.586 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.0 165.04 54.18 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -43.36 155.44 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 120.942 1.095 . . . . 0.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 147.73 66.41 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 -179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -65.72 163.21 31.34 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 120.535 0.823 . . . . 0.0 111.755 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -57.48 -45.51 33.73 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.308 1.339 . . . . 0.0 113.019 -179.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.0 p -60.23 -39.1 85.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.13 -0.981 . . . . 0.0 109.701 -179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.1 m -69.98 -40.01 75.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.151 -0.968 . . . . 0.0 110.323 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.06 95.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.008 -1.058 . . . . 0.0 109.582 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.95 -49.95 75.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.203 -0.936 . . . . 0.0 109.818 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -60.03 -41.52 92.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.984 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.83 -40.02 93.83 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 tp -70.44 -46.48 63.78 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.641 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.0 -48.82 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.066 -1.021 . . . . 0.0 109.928 -179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.081 -1.012 . . . . 0.0 109.99 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.98 -46.68 67.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.06 -1.025 . . . . 0.0 109.772 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.79 -41.09 97.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.047 -1.033 . . . . 0.0 109.264 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.36 -41.69 89.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.128 -0.983 . . . . 0.0 110.658 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -59.95 -40.09 87.81 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.86 -1.15 . . . . 0.0 111.144 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 HG23 ' A' ' 21' ' ' THR . 34.6 pt -76.42 -20.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.934 -1.104 . . . . 0.0 111.469 -178.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 76.8 p -99.97 -6.76 26.07 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.83 -1.169 . . . . 0.0 111.492 -178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -86.9 -43.9 12.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.531 -1.355 . . . . 0.0 110.825 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.26 24.5 9.42 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.233 -0.917 . . . . 0.0 111.138 -178.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' A' ' 24' ' ' GLN . 1.3 pm0 -80.49 130.22 35.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.741 -1.224 . . . . 0.0 109.834 -179.394 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -87.55 -80.01 0.27 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.46 -1.4 . . . . 0.0 108.225 179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.56 158.14 66.3 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -45.5 150.34 1.42 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 CA-C-N 119.321 0.793 . . . . 0.0 110.957 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.54 -53.85 52.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.858 -1.151 . . . . 0.0 109.164 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' C ' ' H ' ' A' ' 31' ' ' GLY . 22.0 m -84.79 168.69 14.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.338 179.229 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -68.87 39.12 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.488 -0.757 . . . . 0.0 109.097 178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 29' ' ' CYS . . . 83.0 22.78 57.02 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.2 m -66.57 149.68 50.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.359 -1.083 . . . . 0.0 109.65 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 93.8 mtp -118.59 153.63 33.93 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -130.03 159.99 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.382 -0.824 . . . . 0.0 110.388 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -71.68 134.55 46.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.494 -0.754 . . . . 0.0 109.826 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 81.0 p -71.34 149.55 45.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 108.685 179.056 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 pt -131.61 163.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.317 -0.864 . . . . 0.0 109.46 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.76 120.89 26.94 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.159 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.07 117.63 21.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 109.317 -178.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 43' ' ' MET . 25.6 p -145.15 -101.33 0.1 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.222 -0.924 . . . . 0.0 109.743 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -111.78 -63.59 1.4 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.98 39.57 0.31 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 41' ' ' ALA . 69.2 mtm -62.96 -40.08 96.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -1.166 . . . . 0.0 109.681 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -60.24 -44.58 95.12 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.488 -0.758 . . . . 0.0 109.322 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 51.9 m -67.12 -55.63 13.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.298 -0.876 . . . . 0.0 108.992 179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.56 95.76 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.54 -0.725 . . . . 0.0 109.859 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.54 92.34 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.085 -1.009 . . . . 0.0 109.915 -179.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.06 -49.94 75.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.155 -0.966 . . . . 0.0 110.845 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.1 pt-20 -60.03 -34.48 73.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.781 -1.199 . . . . 0.0 110.369 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.6 p -62.03 -39.98 94.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.919 -1.113 . . . . 0.0 109.085 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -69.39 -37.02 77.33 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.407 -0.808 . . . . 0.0 109.984 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -52.74 -16.68 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.119 -0.988 . . . . 0.0 109.471 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.34 -17.3 39.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.079 -1.013 . . . . 0.0 109.439 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.2 t -93.98 123.41 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.105 -0.997 . . . . 0.0 109.016 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 m -126.35 150.03 48.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.541 -0.725 . . . . 0.0 109.471 -179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.23 -10.03 73.96 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.05 93.86 6.83 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.262 . . . . 0.0 109.641 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -68.7 -36.7 78.81 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.218 -0.926 . . . . 0.0 110.029 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.49 -34.07 7.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 111.703 -178.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 pt -99.79 -4.34 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 120.793 -1.192 . . . . 0.0 111.293 -178.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.98 -40.27 88.58 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.621 -1.299 . . . . 0.0 108.97 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.08 -40.03 96.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.002 -1.061 . . . . 0.0 108.489 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.96 -40.87 90.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.524 -0.735 . . . . 0.0 109.868 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -59.95 -40.97 90.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.147 -0.971 . . . . 0.0 109.57 -179.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.96 -46.68 83.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.1 mtm -64.32 -40.03 95.08 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.943 . . . . 0.0 110.431 -179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.95 -39.87 87.05 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.947 -1.096 . . . . 0.0 108.654 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.3 m -59.11 -38.63 80.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.442 -0.786 . . . . 0.0 109.026 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.07 -34.72 24.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -92.4 -11.42 34.91 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.058 -1.26 . . . . 0.0 108.933 179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -142.22 94.47 6.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.448 -0.783 . . . . 0.0 109.215 179.83 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -62.26 36.68 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 120.865 1.043 . . . . 0.0 110.994 178.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -90.67 98.7 11.93 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.349 -0.844 . . . . 0.0 111.325 -177.091 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -82.23 94.83 7.38 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.51 130.02 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.179 -0.951 . . . . 0.0 110.63 -178.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.5 p -91.48 167.7 12.06 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -61.52 -17.4 54.56 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.088 -1.007 . . . . 0.0 110.231 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.19 -32.05 8.63 Favored Glycine 0 N--CA 1.496 2.656 0 C-N-CA 120.085 -1.055 . . . . 0.0 110.611 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -87.05 128.16 35.1 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.974 -1.309 . . . . 0.0 110.035 -179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 75.6 m-85 -130.53 150.31 51.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.554 -0.716 . . . . 0.0 109.091 179.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.519 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.2 m -122.61 -49.12 2.02 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.386 -0.821 . . . . 0.0 111.727 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.9 t -98.5 -1.51 41.05 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 120.877 -1.139 . . . . 0.0 112.425 -177.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.0 mp -88.55 24.68 1.89 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.533 -1.355 . . . . 0.0 109.748 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.69 -38.46 67.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.006 -1.059 . . . . 0.0 109.093 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.4 t -77.06 147.56 7.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.544 -0.723 . . . . 0.0 109.317 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -89.05 69.92 8.44 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -83.17 170.0 15.2 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.3 p -89.65 161.01 16.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 109.023 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -87.02 153.25 21.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.207 -0.933 . . . . 0.0 109.832 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.8 pt -130.26 160.17 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.701 -0.625 . . . . 0.0 109.417 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.63 145.14 56.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 0.0 109.394 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.8 -40.73 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.175 -0.953 . . . . 0.0 109.709 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.24 62.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.018 -1.051 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -73.94 -36.53 64.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.276 -0.89 . . . . 0.0 108.639 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.01 -49.28 78.29 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.593 -0.692 . . . . 0.0 110.125 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.66 -48.54 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.225 -0.922 . . . . 0.0 110.502 -179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.11 -44.97 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.108 -0.995 . . . . 0.0 110.647 -178.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.03 -39.94 87.61 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.703 -1.248 . . . . 0.0 108.127 179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.2 -39.97 96.17 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.551 -0.718 . . . . 0.0 109.569 179.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -55.53 -46.13 77.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.27 -0.894 . . . . 0.0 110.987 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.8 mm? -60.04 -42.17 93.85 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.485 -1.384 . . . . 0.0 110.048 -179.01 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.97 -39.78 75.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.682 -1.261 . . . . 0.0 111.024 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.66 -49.91 73.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.594 -1.316 . . . . 0.0 109.65 -178.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -67.35 -25.71 66.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.889 -1.132 . . . . 0.0 110.295 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -63.22 -48.43 78.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.7 -28.25 68.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.964 -1.085 . . . . 0.0 109.557 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.95 -40.26 88.37 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.07 -1.019 . . . . 0.0 110.183 -179.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -60.27 -33.28 72.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.51 -179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.03 -12.48 47.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.167 -0.958 . . . . 0.0 109.966 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.52 7.51 20.79 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -93.72 94.38 8.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.183 -1.186 . . . . 0.0 108.546 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -92.05 140.0 30.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.513 -0.742 . . . . 0.0 109.898 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.305 -0.872 . . . . 0.0 109.602 179.954 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.28 160.03 53.5 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -60.41 134.54 55.72 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.414 1.41 . . . . 0.0 112.485 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 m -81.3 150.01 66.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -62.12 166.59 12.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 120.582 0.855 . . . . 0.0 112.214 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -62.95 -46.39 10.75 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.195 1.263 . . . . 0.0 112.797 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.5 p -60.38 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 110.146 -178.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.0 m -70.01 -43.06 72.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.234 -0.916 . . . . 0.0 110.085 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.05 98.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 109.455 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.31 -47.99 83.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.269 -0.894 . . . . 0.0 110.175 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' CB ' ' NH1' ' A' ' 11' ' ' ARG . 9.3 mtp-105 -59.99 -40.1 88.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 108.537 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -65.03 -40.05 94.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.524 -0.735 . . . . 0.0 109.216 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.13 -40.88 74.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 110.076 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -60.59 -49.15 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.031 -1.043 . . . . 0.0 109.881 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.07 -40.79 90.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.261 -0.899 . . . . 0.0 110.405 -179.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.07 -45.33 67.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.026 -1.047 . . . . 0.0 110.241 -179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.75 -42.18 96.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.977 -1.077 . . . . 0.0 109.108 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.04 -40.02 86.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.385 -0.822 . . . . 0.0 109.679 -179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -60.0 -40.05 87.89 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.115 -0.991 . . . . 0.0 111.413 -179.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 pt -78.12 -17.45 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.889 -1.132 . . . . 0.0 112.101 -178.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 p -100.4 -20.13 15.95 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 120.61 -1.306 . . . . 0.0 111.086 -179.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -73.52 -37.05 65.78 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.675 -1.266 . . . . 0.0 110.483 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' N ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.75 8.44 44.95 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.162 -0.961 . . . . 0.0 111.225 -178.772 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' HD22 ' A' ' 23' ' ' ASN . 12.9 pt20 -80.88 128.58 33.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.543 -1.348 . . . . 0.0 109.217 -179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -88.77 -80.05 0.3 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.127 -0.983 . . . . 0.0 108.476 179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.09 157.95 65.16 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -42.22 145.46 0.87 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 120.541 0.827 . . . . 0.0 111.698 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.1 -49.37 77.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.167 -0.958 . . . . 0.0 108.59 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLY . 89.7 m -86.53 166.57 15.35 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.498 -0.751 . . . . 0.0 109.497 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -67.41 41.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 109.515 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 82.68 24.11 54.24 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' VAL . 73.0 m -60.07 141.07 56.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.493 -1.004 . . . . 0.0 110.402 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mmm -108.92 150.4 27.76 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.1 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.218 -0.926 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -72.75 131.21 42.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.768 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.1 p -70.17 155.46 40.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.29 -0.881 . . . . 0.0 108.73 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.3 pt -138.12 165.76 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.257 -0.902 . . . . 0.0 110.059 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -89.58 116.76 27.97 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.9 mm? -78.22 118.0 20.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.086 -1.009 . . . . 0.0 109.883 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 ' H ' ' HG2' ' A' ' 43' ' ' MET . 19.0 p -143.05 -99.99 0.12 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.521 -0.737 . . . . 0.0 109.049 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -113.14 -60.61 1.86 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.396 -0.815 . . . . 0.0 110.079 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.17 38.8 0.55 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 41' ' ' ALA . 66.8 mtm -60.56 -39.88 89.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.362 -1.081 . . . . 0.0 109.873 -179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -60.06 -44.99 94.34 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.616 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 49.9 m -67.93 -51.24 50.01 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.075 -1.016 . . . . 0.0 109.067 179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.74 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 0.0 110.058 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.83 93.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 0.0 110.467 -179.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.02 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.098 -1.001 . . . . 0.0 110.59 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.9 pt-20 -59.96 -40.01 87.6 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.608 -1.308 . . . . 0.0 110.271 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.5 m -63.07 -40.0 96.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.977 -1.077 . . . . 0.0 109.379 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 53' ' ' ASN . 84.7 mt -70.0 -37.63 75.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 52' ' ' ILE . 12.1 mm -52.74 -11.38 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.043 -1.036 . . . . 0.0 109.254 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 51' ' ' LEU . 82.2 m-20 -86.4 -17.77 33.52 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.069 -1.019 . . . . 0.0 108.702 178.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.74 119.12 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.781 . . . . 0.0 109.033 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.4 m -128.71 148.01 50.8 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.378 -0.826 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.84 -7.18 64.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.3 m -99.95 89.69 4.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.118 -1.225 . . . . 0.0 109.9 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -61.2 -37.41 82.88 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.334 -0.854 . . . . 0.0 109.609 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.32 -19.22 0.47 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.504 -0.747 . . . . 0.0 111.51 -178.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.6 pt -125.04 -2.86 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.27 0 O-C-N 121.016 -1.053 . . . . 0.0 109.318 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.0 -42.14 93.61 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -63.02 -39.04 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 108.869 178.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -59.38 -39.16 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.505 -0.747 . . . . 0.0 109.591 -179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.017 -1.052 . . . . 0.0 109.53 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -65.21 -43.36 91.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.974 -1.079 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.3 mtm -65.6 -40.03 92.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.265 -0.897 . . . . 0.0 110.296 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.1 -39.96 91.92 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.107 -0.996 . . . . 0.0 109.818 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.6 m -59.4 -39.23 82.75 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.82 -30.15 14.52 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -94.54 -17.05 22.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.044 -1.268 . . . . 0.0 109.287 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -136.03 94.25 14.55 Favored Pre-proline 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 0.0 109.629 -179.533 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.51 37.16 0.07 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.209 1.273 . . . . 0.0 111.538 178.325 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.563 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -90.11 101.78 14.5 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.211 -0.931 . . . . 0.0 111.097 -177.443 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -79.76 73.93 6.48 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 177.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' VAL . 6.1 p -95.0 120.21 44.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.411 -0.805 . . . . 0.0 110.134 -178.25 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 77.9 p -94.32 170.0 9.82 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.55 -0.719 . . . . 0.0 109.579 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.498 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -61.38 -12.08 12.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.326 -0.859 . . . . 0.0 109.711 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -89.83 -34.36 8.42 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -93.75 133.18 37.38 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.261 -1.141 . . . . 0.0 109.842 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 77.0 m-85 -130.8 149.14 52.58 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.467 -0.771 . . . . 0.0 109.356 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.502 ' O ' ' CE1' ' A' ' 84' ' ' HIS . 6.5 m -122.25 -56.68 1.8 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.435 -0.791 . . . . 0.0 111.433 -179.142 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.524 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 23.1 t -94.43 -4.34 48.49 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.86 -1.15 . . . . 0.0 112.262 -177.67 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.6 mp -84.22 29.03 0.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.376 -1.452 . . . . 0.0 109.417 -179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 81' ' ' SER . 2.2 m-70 -76.23 -40.75 51.31 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.189 -0.944 . . . . 0.0 109.218 179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.57 148.52 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.461 HH11 ' HG2' ' A' ' 86' ' ' ARG . 38.2 mtt-85 -90.09 70.87 7.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.056 -1.027 . . . . 0.0 109.881 -179.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -84.35 175.07 9.61 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.3 p -94.02 160.11 14.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.931 -1.105 . . . . 0.0 108.727 179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -85.85 159.13 19.78 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.074 -1.016 . . . . 0.0 109.917 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.4 pt -133.47 160.49 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.416 -0.803 . . . . 0.0 109.645 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.38 144.9 56.79 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.224 -0.923 . . . . 0.0 110.138 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.8 -40.34 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.467 -0.77 . . . . 0.0 109.14 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.95 68.69 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.196 -0.94 . . . . 0.0 109.317 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.32 -36.81 66.28 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -60.08 -49.91 75.81 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.773 -0.579 . . . . 0.0 110.396 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.98 -45.57 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.07 -1.019 . . . . 0.0 110.037 -179.257 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.06 -49.07 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 110.569 -178.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.98 -40.0 87.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.907 -1.121 . . . . 0.0 108.741 -179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.68 -39.02 89.97 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.486 -0.759 . . . . 0.0 109.21 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.18 -43.04 82.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.379 -0.826 . . . . 0.0 111.047 -178.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 101' ' ' LEU . 4.0 mm? -59.98 -43.82 94.86 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.659 -1.276 . . . . 0.0 109.401 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -69.58 -39.24 77.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 111.396 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.0 -55.8 30.02 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.174 -1.579 . . . . 0.0 110.226 -178.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' NZ ' HD13 ' A' ' 101' ' ' LEU . 15.2 pttp -69.07 -18.56 64.02 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.607 -1.308 . . . . 0.0 110.61 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.71 -49.89 71.31 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.056 -1.028 . . . . 0.0 109.953 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 2.8 mm? -63.31 -26.47 68.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.163 -0.961 . . . . 0.0 109.803 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.93 -41.24 91.34 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.039 -1.038 . . . . 0.0 110.231 -179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -61.29 -37.86 84.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.153 -0.967 . . . . 0.0 110.254 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -82.43 -10.01 59.21 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.002 -1.061 . . . . 0.0 110.0 -179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.33 8.52 31.53 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.915 -1.274 . . . . 0.0 109.915 179.313 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 111' ' ' ARG . 54.3 mtt-85 -95.6 98.49 10.54 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.111 -1.229 . . . . 0.0 108.477 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 71.1 m-85 -93.0 143.0 26.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.206 -178.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' OXT' ' O ' ' A' ' 112' ' ' PHE . 20.9 t-20 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.771 -0.581 . . . . 0.0 109.726 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.05 160.03 53.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.414 -1.475 . . . . 0.0 109.414 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -48.08 151.03 4.42 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.246 1.298 . . . . 0.0 111.917 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.0 m -80.15 149.32 69.4 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.361 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -59.47 166.54 7.65 Favored 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 120.422 0.748 . . . . 0.0 111.623 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -59.2 -49.48 10.84 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.31 1.34 . . . . 0.0 112.927 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.9 p -60.85 -38.71 86.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 110.293 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -69.24 -40.07 78.12 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.049 -1.032 . . . . 0.0 110.064 -179.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.28 96.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.038 -1.039 . . . . 0.0 109.79 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -48.3 82.25 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.856 . . . . 0.0 109.026 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -59.91 -42.79 94.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.993 -1.067 . . . . 0.0 109.248 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.43 -40.09 95.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.188 -0.945 . . . . 0.0 108.769 179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.15 -44.91 67.87 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 0.0 109.416 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.43 -50.03 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.18 -40.1 88.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.366 -0.834 . . . . 0.0 110.831 -178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -70.17 -42.46 72.43 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.953 -1.092 . . . . 0.0 110.696 -179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.75 -42.28 97.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.997 -1.065 . . . . 0.0 109.646 -179.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.12 -39.97 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.239 -0.913 . . . . 0.0 110.121 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.77 -40.13 87.18 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.243 -0.91 . . . . 0.0 111.517 -178.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.1 pt -77.24 -16.11 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.777 -1.202 . . . . 0.0 111.894 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 96' ' ' VAL . 75.0 p -102.06 -22.31 14.28 Favored 'General case' 0 N--CA 1.506 2.351 0 O-C-N 120.899 -1.125 . . . . 0.0 110.855 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -73.08 -39.44 65.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.86 -1.15 . . . . 0.0 110.635 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -98.51 13.06 33.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.24 -0.912 . . . . 0.0 111.042 -178.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -81.1 130.21 34.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.634 -1.291 . . . . 0.0 110.058 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -86.23 -78.9 0.27 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -81.46 160.84 63.85 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.2 Cg_exo -43.8 165.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.695 0.93 . . . . 0.0 111.755 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.46 -17.14 64.58 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 109.548 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' GLY . 78.7 m -146.09 174.91 10.88 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.173 -0.955 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.531 ' N ' ' ND2' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -66.29 50.15 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.334 -0.853 . . . . 0.0 110.019 -179.734 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 77.83 34.45 38.61 Favored Glycine 0 N--CA 1.49 2.285 0 C-N-CA 119.756 -1.211 . . . . 0.0 110.216 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 m -62.2 151.41 36.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.136 -1.214 . . . . 0.0 109.499 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.3 mtp -129.02 147.71 50.91 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.0 161.41 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.456 -0.777 . . . . 0.0 110.079 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -72.56 132.19 43.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.558 -0.714 . . . . 0.0 110.083 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -69.8 144.7 52.57 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.9 pt -130.03 161.38 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -85.11 120.95 27.18 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.697 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.1 mm? -80.85 109.88 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.105 -0.997 . . . . 0.0 109.948 -178.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.494 ' H ' ' HG2' ' A' ' 43' ' ' MET . 11.2 p -140.28 -105.91 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.424 -0.798 . . . . 0.0 109.581 179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -93.06 -79.47 0.4 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.319 -0.863 . . . . 0.0 110.686 -179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.59 45.04 0.11 Allowed Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -178.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ALA . 61.1 mtm -60.69 -40.13 91.05 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.25 . . . . 0.0 109.29 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.64 -46.31 90.32 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.448 -0.783 . . . . 0.0 110.201 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.598 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 64.1 m -67.29 -48.02 68.89 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.208 -0.933 . . . . 0.0 110.089 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.18 93.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.027 . . . . 0.0 109.173 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.17 87.86 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.167 -0.958 . . . . 0.0 109.281 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.26 -49.91 75.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.247 -0.908 . . . . 0.0 111.142 -178.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 82' ' ' SER . 6.8 pt-20 -60.01 -39.24 85.15 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.65 -1.281 . . . . 0.0 109.675 -179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -60.86 -40.69 93.88 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.976 -1.078 . . . . 0.0 109.12 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' HB3' HE21 ' A' ' 64' ' ' GLN . 94.7 mt -70.27 -36.54 74.49 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.364 -0.835 . . . . 0.0 110.636 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 52' ' ' ILE . 20.8 mm -54.37 -19.59 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.994 -1.066 . . . . 0.0 109.124 -179.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -85.31 -14.81 45.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.167 -0.958 . . . . 0.0 109.555 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.93 120.1 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.208 -0.932 . . . . 0.0 108.637 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.0 m -127.71 149.92 50.01 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.48 -0.762 . . . . 0.0 110.071 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.37 27.52 22.5 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.3 m -142.53 98.72 3.35 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.088 -1.242 . . . . 0.0 109.329 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -68.89 -32.35 71.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.385 -0.822 . . . . 0.0 109.829 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.81 -26.89 6.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 0.0 110.674 -179.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.4 pt -106.41 -9.53 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 O-C-N 121.114 -0.991 . . . . 0.0 110.689 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -59.98 -42.91 95.21 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.768 -1.207 . . . . 0.0 109.229 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.33 -40.0 95.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.182 -0.949 . . . . 0.0 109.031 178.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -60.04 -39.92 87.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.419 -0.801 . . . . 0.0 109.462 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 51' ' ' LEU . 97.7 mt-30 -60.0 -42.37 94.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -60.92 -50.08 74.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.074 -1.016 . . . . 0.0 109.179 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.41 -40.01 89.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.29 -0.881 . . . . 0.0 109.306 -179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.27 -39.98 96.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.117 -0.989 . . . . 0.0 108.851 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' CYS . 73.9 m -59.45 -39.8 84.79 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.78 -32.09 17.31 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -91.06 -10.33 42.5 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.027 -1.278 . . . . 0.0 108.581 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.514 ' SG ' ' N ' ' A' ' 45' ' ' CYS . 27.8 m -130.2 77.94 75.45 Favored Pre-proline 0 N--CA 1.494 1.755 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -53.3 -1.08 0.09 OUTLIER 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.512 1.475 . . . . 0.0 113.975 -178.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' NE2' ' SG ' ' A' ' 45' ' ' CYS . 13.6 p80 -98.21 119.29 36.61 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.933 -1.105 . . . . 0.0 109.176 179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -75.14 138.79 42.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.337 -0.852 . . . . 0.0 109.788 -179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.64 129.89 67.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.485 -0.759 . . . . 0.0 109.514 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -95.18 161.89 13.93 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.03 -4.28 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.904 . . . . 0.0 110.417 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -107.11 -25.88 5.95 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -90.76 120.13 31.55 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.162 . . . . 0.0 110.635 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 83' ' ' LEU . 96.6 m-85 -130.11 144.26 51.25 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.497 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 74.8 m -123.35 -30.45 3.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.396 -0.815 . . . . 0.0 110.954 -179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.412 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 15.8 t -109.91 0.51 18.67 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.274 -0.891 . . . . 0.0 112.632 -177.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 80' ' ' PHE . 49.3 mt -87.22 15.76 5.94 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.218 -1.551 . . . . 0.0 110.066 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.497 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.1 m-70 -76.26 -23.19 54.46 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.834 -1.166 . . . . 0.0 109.684 -179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.88 143.86 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 109.424 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 86' ' ' ARG . 46.1 mtt-85 -89.65 56.75 3.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.987 -1.071 . . . . 0.0 109.187 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -84.57 166.8 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.42 -0.8 . . . . 0.0 109.161 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.8 p -92.05 160.11 15.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.99 -1.069 . . . . 0.0 108.993 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -84.39 158.51 21.08 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.439 -0.788 . . . . 0.0 110.068 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.9 pt -132.34 160.65 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.71 148.45 51.9 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.021 -1.05 . . . . 0.0 109.745 -179.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -57.77 -40.31 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.233 -0.917 . . . . 0.0 109.795 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.07 -40.23 63.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.106 -0.997 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -75.21 -38.78 60.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.069 -1.019 . . . . 0.0 109.048 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.11 -49.44 77.63 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 21' ' ' THR . 95.7 t -60.72 -49.94 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.97 . . . . 0.0 109.917 -179.21 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -63.76 -40.11 95.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.152 -0.967 . . . . 0.0 111.334 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -44.14 94.88 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.626 -1.296 . . . . 0.0 108.742 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.92 -35.89 81.59 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 tp -57.43 -42.7 82.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.323 -0.861 . . . . 0.0 111.058 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.3 mm? -60.09 -46.58 89.11 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.341 -1.474 . . . . 0.0 109.637 -179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -67.44 -39.96 85.43 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.063 -1.023 . . . . 0.0 111.361 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.8 mt -56.34 -54.51 44.63 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.466 -1.396 . . . . 0.0 110.24 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -69.42 -21.01 63.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.554 -1.341 . . . . 0.0 110.51 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' HH12 ' A' ' 108' ' ' ARG . 64.5 tttm -65.12 -48.53 73.29 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.856 -1.152 . . . . 0.0 110.893 -178.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.1 mm? -60.62 -25.01 65.95 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.899 -1.125 . . . . 0.0 109.662 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -60.03 -40.68 90.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.897 -1.127 . . . . 0.0 110.173 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.443 ' HG3' HH11 ' A' ' 108' ' ' ARG . 21.3 mtm-85 -62.33 -25.46 67.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.996 -1.065 . . . . 0.0 109.163 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 111' ' ' ARG . 99.8 mt-10 -87.99 -14.37 39.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.152 -0.967 . . . . 0.0 110.133 -179.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.17 -1.95 2.5 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 109' ' ' GLU . 61.9 mtp180 -93.85 98.6 11.18 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -1.214 . . . . 0.0 108.771 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -92.33 138.3 31.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.638 -0.664 . . . . 0.0 109.511 -179.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 109.658 -179.921 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mtp . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.55 162.51 54.29 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -48.21 147.06 8.79 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.108 1.205 . . . . 0.0 111.932 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' H ' HG22 ' A' ' 4' ' ' VAL . 8.0 m -81.98 145.91 54.35 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.092 -1.005 . . . . 0.0 109.86 -179.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -51.22 168.38 0.26 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 120.647 0.898 . . . . 0.0 111.779 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -67.91 -54.73 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.076 1.184 . . . . 0.0 112.162 179.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.2 p -61.7 -39.19 90.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.54 -0.725 . . . . 0.0 110.454 -179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -67.05 -40.4 87.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.009 -1.057 . . . . 0.0 110.043 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.39 96.7 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.138 -0.976 . . . . 0.0 109.589 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.07 -44.57 96.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.097 -179.667 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -60.03 -44.06 94.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.174 -0.954 . . . . 0.0 108.736 179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.96 -40.01 94.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.649 -0.657 . . . . 0.0 110.088 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -70.84 -46.16 63.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.227 -0.92 . . . . 0.0 110.522 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.95 -48.19 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.846 -1.159 . . . . 0.0 109.863 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.02 -40.03 87.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.222 -0.924 . . . . 0.0 110.482 -178.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -70.14 -41.01 74.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.882 -1.136 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.23 -45.32 93.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.121 -0.987 . . . . 0.0 109.666 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -65.37 -42.5 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.87 -40.61 89.24 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.02 . . . . 0.0 111.458 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.2 pt -76.18 -17.45 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 120.76 -1.212 . . . . 0.0 111.463 -178.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 p -99.33 -23.95 14.99 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.785 -1.197 . . . . 0.0 110.759 -179.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -73.05 -39.11 66.18 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.748 -1.22 . . . . 0.0 110.53 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -95.36 14.51 22.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.963 -1.086 . . . . 0.0 110.583 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 7.6 pt20 -83.05 115.9 22.06 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.746 -1.221 . . . . 0.0 109.471 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -81.16 -70.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.25 61.76 Favored Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -45.79 163.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 120.377 0.718 . . . . 0.0 111.462 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.67 -14.11 62.8 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.015 -1.053 . . . . 0.0 109.675 -179.582 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' GLY . 85.7 m -146.53 -174.17 4.39 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.154 -0.966 . . . . 0.0 109.545 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -67.19 43.71 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.455 -0.778 . . . . 0.0 109.151 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.55 26.47 69.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 92' ' ' VAL . 71.0 m -60.01 140.1 57.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.449 -1.03 . . . . 0.0 109.899 -179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.5 mtp -112.29 158.77 19.35 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.68 161.85 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.305 -0.872 . . . . 0.0 109.737 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -73.62 135.19 43.8 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.287 -0.883 . . . . 0.0 110.165 -179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.5 t -70.03 148.49 48.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.861 179.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -134.16 163.17 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.208 -0.933 . . . . 0.0 109.96 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.24 126.64 34.43 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 39' ' ' LEU . 3.0 mm? -82.84 113.08 20.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.908 . . . . 0.0 109.682 -178.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.521 ' O ' ' SD ' ' A' ' 43' ' ' MET . 11.6 p -149.26 -112.27 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.313 -0.867 . . . . 0.0 109.383 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.44 -34.48 9.56 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.127 -0.983 . . . . 0.0 109.513 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.93 30.99 3.76 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' ' 40' ' ' THR . 36.4 mtp -59.94 -50.11 75.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.413 -1.051 . . . . 0.0 109.921 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.59 -47.95 79.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 -179.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 7.0 m -64.25 -54.87 26.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.399 -0.813 . . . . 0.0 109.188 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.17 91.51 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.644 -0.66 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.78 89.64 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.998 -1.064 . . . . 0.0 110.313 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.021 -1.049 . . . . 0.0 110.815 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 82' ' ' SER . 13.0 pt-20 -59.96 -36.93 78.16 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.707 -1.246 . . . . 0.0 110.753 -179.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -61.05 -40.12 92.42 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.693 -1.255 . . . . 0.0 109.616 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' ASN . 86.3 mt -68.65 -39.63 80.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.328 -0.857 . . . . 0.0 110.073 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.8 mm -51.96 -12.53 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.211 -0.931 . . . . 0.0 109.928 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 51' ' ' LEU . 28.1 m120 -85.07 -18.86 33.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.0 -1.063 . . . . 0.0 109.119 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 t -90.13 121.08 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.28 -0.888 . . . . 0.0 109.189 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.1 m -122.24 145.08 48.55 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.42 -0.8 . . . . 0.0 109.612 -179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.19 41.01 6.34 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 76.4 m -148.55 93.65 2.17 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.226 -1.161 . . . . 0.0 109.629 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.4 t -65.88 -38.56 89.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.234 -0.917 . . . . 0.0 109.828 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.09 -33.45 3.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.493 -0.755 . . . . 0.0 111.497 -178.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.5 pt -99.8 -9.29 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.932 -1.105 . . . . 0.0 111.276 -178.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -41.22 91.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.689 -1.257 . . . . 0.0 109.479 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.831 -1.168 . . . . 0.0 108.912 178.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.546 -0.722 . . . . 0.0 109.831 -179.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.36 -41.23 93.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.001 . . . . 0.0 109.317 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.528 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -62.01 -49.86 74.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.411 -0.806 . . . . 0.0 109.298 179.768 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.8 mtm -62.47 -40.6 97.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.171 -0.956 . . . . 0.0 110.165 -179.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.94 -40.08 94.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.839 -1.163 . . . . 0.0 108.811 179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.6 m -60.1 -39.99 88.06 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 0.0 108.864 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.9 -26.02 7.94 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -94.53 -18.02 21.83 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.082 -1.246 . . . . 0.0 110.038 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 73' ' ' HIS . 9.6 t -141.26 97.6 6.84 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 121.169 -0.957 . . . . 0.0 110.047 179.721 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -58.07 38.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.502 2.025 0 C-N-CA 121.603 1.535 . . . . 0.0 112.698 178.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -89.95 108.31 19.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.991 -1.068 . . . . 0.0 111.233 -177.686 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -81.8 95.85 7.42 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 177.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.4 t -95.21 134.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.319 -0.863 . . . . 0.0 110.594 -177.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.0 p -103.74 156.95 17.41 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 178.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.23 -7.57 2.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.189 -0.945 . . . . 0.0 109.515 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.0 -39.97 2.56 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.51 130.74 34.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.062 -1.258 . . . . 0.0 110.11 -179.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 83' ' ' LEU . 97.1 m-85 -129.75 153.21 48.42 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.485 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 57.9 m -121.4 -42.89 2.43 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.408 -0.808 . . . . 0.0 111.852 -178.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 14.2 t -101.3 -0.29 35.93 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 120.77 -1.206 . . . . 0.0 112.261 -177.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.3 mp -87.16 22.39 2.1 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.404 -1.435 . . . . 0.0 109.803 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.4 m-70 -72.53 -38.97 67.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.054 -1.029 . . . . 0.0 109.185 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.28 146.97 9.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.423 -0.798 . . . . 0.0 109.136 -179.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -90.04 69.5 7.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.943 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -86.72 173.29 9.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.457 -0.777 . . . . 0.0 109.142 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.2 p -92.01 159.66 15.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -0.926 . . . . 0.0 109.196 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -85.47 154.33 21.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.6 pt -131.2 160.11 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.541 -0.725 . . . . 0.0 109.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.59 142.21 58.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.31 -0.869 . . . . 0.0 110.099 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 32' ' ' SER . 55.4 t -58.53 -43.62 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.356 -0.84 . . . . 0.0 109.397 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.82 -39.99 66.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 109.09 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.62 -33.13 60.49 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.393 -0.817 . . . . 0.0 109.022 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 32.2 t80 -59.93 -46.62 88.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.27 -0.894 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.12 -45.77 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 0.0 109.856 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -60.91 -45.47 94.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.986 -1.071 . . . . 0.0 109.692 -179.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.05 -40.11 88.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.609 -1.307 . . . . 0.0 108.626 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.18 -35.37 80.86 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.612 -0.68 . . . . 0.0 109.174 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.94 -42.91 90.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.215 -0.928 . . . . 0.0 111.214 -179.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 1.6 mm? -60.4 -46.66 89.19 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.747 -1.22 . . . . 0.0 110.534 -178.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -69.3 -38.37 78.26 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.712 -1.243 . . . . 0.0 111.455 -179.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.44 -50.1 75.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.831 -1.168 . . . . 0.0 111.197 -177.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -68.07 -20.38 64.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.581 -1.324 . . . . 0.0 110.728 -178.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -67.44 -42.68 82.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.9 -1.125 . . . . 0.0 110.154 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.5 mm? -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 118.401 -1.319 . . . . 0.0 107.852 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -43.38 95.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.316 -0.865 . . . . 0.0 109.153 179.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.35 -40.08 92.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -84.68 -10.38 57.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.363 -0.836 . . . . 0.0 109.06 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.69 13.63 56.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.417 ' HG2' ' NH1' ' A' ' 111' ' ' ARG . 57.7 mtt-85 -97.66 101.03 12.45 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.141 -1.211 . . . . 0.0 108.516 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -94.26 132.18 39.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.476 -0.765 . . . . 0.0 110.367 -178.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.649 -0.657 . . . . 0.0 109.495 -179.968 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.62 51.92 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -54.53 168.95 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 CA-C-N 118.132 0.966 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 m -81.16 149.85 66.95 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 120.941 -1.099 . . . . 0.0 109.213 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -64.77 164.47 24.14 Favored 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 120.82 1.013 . . . . 0.0 112.301 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -58.4 -42.17 58.26 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.466 1.444 . . . . 0.0 113.056 -179.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -60.04 -39.26 85.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.012 . . . . 0.0 109.317 -179.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -67.97 -44.34 76.92 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.321 -0.862 . . . . 0.0 109.647 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -40.05 95.32 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.136 -0.977 . . . . 0.0 109.257 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -62.89 -52.83 61.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.419 -0.801 . . . . 0.0 109.014 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -59.97 -45.08 93.85 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.234 -0.916 . . . . 0.0 110.261 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.13 -39.67 90.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.257 -0.902 . . . . 0.0 109.92 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.05 -44.23 85.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.163 -0.96 . . . . 0.0 109.009 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -49.78 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.944 -1.097 . . . . 0.0 109.419 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.96 -40.28 88.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.474 -0.766 . . . . 0.0 110.624 -178.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -72.02 -42.19 66.67 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.929 -1.107 . . . . 0.0 109.977 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.96 -46.38 89.6 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.036 -1.04 . . . . 0.0 109.678 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -40.01 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.281 -0.887 . . . . 0.0 110.166 -179.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.99 -39.93 87.46 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.1 -1.0 . . . . 0.0 110.93 -178.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 pt -78.92 -15.97 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.888 -1.133 . . . . 0.0 111.67 -178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 p -98.99 -19.89 17.04 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.649 -1.282 . . . . 0.0 111.028 -178.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.07 -39.94 54.26 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.572 -1.33 . . . . 0.0 111.062 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -96.47 10.13 39.23 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.02 -1.05 . . . . 0.0 111.373 -178.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -81.56 131.39 35.27 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.56 -1.338 . . . . 0.0 109.844 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -84.77 -77.92 0.26 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -83.4 163.48 49.78 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 23.8 Cg_exo -44.33 166.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 120.972 1.114 . . . . 0.0 112.208 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.47 -8.6 42.41 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.032 -1.042 . . . . 0.0 109.278 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.2 m -146.03 -179.4 6.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.346 -0.846 . . . . 0.0 109.143 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.01 45.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.298 -0.876 . . . . 0.0 109.39 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.82 26.69 68.61 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -59.98 139.96 57.08 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.255 -1.144 . . . . 0.0 109.195 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.1 mtp -108.51 153.7 22.97 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.56 -0.712 . . . . 0.0 109.154 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.01 161.14 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.518 -0.739 . . . . 0.0 109.923 -179.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -73.01 129.38 37.97 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.413 -0.805 . . . . 0.0 110.046 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -70.64 150.85 45.59 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.3 pt -132.93 164.99 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.316 -0.865 . . . . 0.0 109.676 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.17 120.55 27.66 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.7 mm? -79.25 111.69 15.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.16 -0.963 . . . . 0.0 109.34 -178.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 17.2 p -138.44 -115.1 0.15 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.09 -79.31 0.35 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.146 -0.971 . . . . 0.0 110.759 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.09 50.85 0.11 Allowed Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' ALA . 69.8 mtm -62.94 -39.14 93.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.175 -1.191 . . . . 0.0 109.832 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' OH ' HD21 ' A' ' 10' ' ' LEU . 96.1 m-85 -59.96 -47.66 84.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.465 -0.772 . . . . 0.0 111.11 -178.224 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' NE2' ' A' ' 73' ' ' HIS . 86.8 m -65.73 -49.9 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.799 -1.188 . . . . 0.0 109.321 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.74 94.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.14 -0.975 . . . . 0.0 109.087 179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.13 95.9 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.35 -0.844 . . . . 0.0 109.681 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.11 -50.25 74.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.296 -0.878 . . . . 0.0 111.008 -178.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -60.0 -37.32 79.35 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.735 -1.228 . . . . 0.0 110.313 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.8 p -61.57 -38.96 89.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.864 -1.147 . . . . 0.0 108.389 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.43 -39.28 81.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.559 -0.713 . . . . 0.0 109.514 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.1 mm -53.74 -15.23 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.308 -0.87 . . . . 0.0 109.452 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -84.96 -12.87 52.34 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 109.141 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -91.44 127.21 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.322 -0.861 . . . . 0.0 109.215 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.2 m -129.15 149.88 50.77 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.452 -0.78 . . . . 0.0 109.671 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.81 33.08 19.72 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.4 m -143.88 91.82 2.27 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -1.228 . . . . 0.0 109.402 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -70.03 -25.61 63.65 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.385 -0.822 . . . . 0.0 109.841 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.67 66.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.393 -0.817 . . . . 0.0 111.207 -179.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 33.0 pt -98.64 -5.26 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.883 -1.136 . . . . 0.0 111.464 -178.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -60.08 -40.55 89.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.385 -1.447 . . . . 0.0 108.791 179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.65 -39.96 95.52 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.97 -40.13 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 0.0 109.762 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.43 -41.65 94.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.978 -1.076 . . . . 0.0 109.727 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 65' ' ' ARG . 41.6 ttt-85 -62.38 -49.16 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.149 -0.97 . . . . 0.0 109.73 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.7 mtm -60.04 -40.98 91.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.124 -0.985 . . . . 0.0 108.811 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.9 -39.96 94.35 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -58.56 -39.3 79.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.454 -0.779 . . . . 0.0 109.045 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.4 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -93.82 -1.78 54.45 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.14 -1.212 . . . . 0.0 109.086 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.627 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 20.1 t -135.24 83.08 39.58 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.488 -0.758 . . . . 0.0 109.077 -179.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -55.31 -21.75 30.41 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.351 1.367 . . . . 0.0 114.189 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.627 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 18.0 p80 -89.19 121.19 31.25 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.548 -1.345 . . . . 0.0 109.366 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -78.07 144.4 36.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.598 -0.689 . . . . 0.0 110.666 -178.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 129.62 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -96.11 166.69 11.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.65 -3.99 1.78 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.743 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.59 -29.82 4.02 Favored Glycine 0 N--CA 1.499 2.883 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -91.56 120.68 32.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.243 -1.151 . . . . 0.0 110.085 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -129.71 151.92 49.78 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.3 m -122.65 -39.94 2.49 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.404 -0.81 . . . . 0.0 111.37 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -105.07 1.72 28.77 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.062 -1.023 . . . . 0.0 112.232 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.1 mm? -84.89 12.41 7.51 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.501 -1.374 . . . . 0.0 110.021 -179.421 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 1.7 m-70 -73.31 -36.16 66.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.066 -1.021 . . . . 0.0 109.58 -179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 85' ' ' VAL . 16.3 m -75.38 154.17 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 109.536 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 86' ' ' ARG . 53.3 mtt-85 -90.64 72.04 6.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.199 -0.938 . . . . 0.0 109.124 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -82.27 168.59 17.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.416 -0.803 . . . . 0.0 109.235 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.0 m -93.34 148.22 22.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.126 -0.984 . . . . 0.0 108.942 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -82.74 147.04 28.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.104 -0.998 . . . . 0.0 108.862 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.1 pt -132.24 161.84 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.631 -0.668 . . . . 0.0 109.657 -179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.55 146.22 54.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.449 -0.782 . . . . 0.0 109.687 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.72 -39.97 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.267 -0.895 . . . . 0.0 109.549 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.13 61.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.955 . . . . 0.0 109.517 -179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -75.24 -35.08 61.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 108.912 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -59.97 -49.87 75.98 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.484 -0.76 . . . . 0.0 109.955 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -62.3 -47.66 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.268 -0.895 . . . . 0.0 109.978 -179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -60.31 -45.65 92.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.114 -0.991 . . . . 0.0 110.062 -179.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.01 -41.77 92.86 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.296 179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.41 -38.02 89.57 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.361 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.28 -44.49 75.7 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 110.893 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 101' ' ' LEU . 3.7 mm? -59.98 -43.79 94.91 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.565 -1.334 . . . . 0.0 110.044 -178.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -70.03 -37.15 75.52 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.999 -1.063 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.3 mt -59.88 -50.82 72.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.545 -1.347 . . . . 0.0 110.706 -177.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -69.95 -22.26 63.19 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.664 -1.273 . . . . 0.0 110.34 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.69 -49.98 71.0 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.093 -1.004 . . . . 0.0 110.614 -179.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.3 mm? -62.32 -28.93 70.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.917 -1.114 . . . . 0.0 109.861 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -59.16 -39.71 83.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.117 -0.989 . . . . 0.0 109.498 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 108' ' ' ARG . 44.4 mtt-85 -60.0 -36.87 78.13 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.272 -0.892 . . . . 0.0 109.466 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.43 -12.83 53.65 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 110.14 -179.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.72 3.94 37.22 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.226 179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -94.29 99.88 12.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.954 -1.321 . . . . 0.0 108.931 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -96.01 132.14 41.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 109.688 -179.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.0 109.581 179.826 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' PRO . . . -70.27 178.7 30.19 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' GLY . 22.1 Cg_exo -47.03 -178.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.016 1.144 . . . . 0.0 111.972 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.3 m -78.54 145.48 67.56 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.928 -1.108 . . . . 0.0 109.307 -179.478 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -62.82 165.96 15.03 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 120.679 0.919 . . . . 0.0 112.123 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -57.35 -49.72 13.01 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 121.295 1.33 . . . . 0.0 113.201 -179.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -61.97 -40.03 94.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.166 -0.959 . . . . 0.0 110.337 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -70.0 -40.97 74.98 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.976 -1.078 . . . . 0.0 109.822 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.54 98.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.143 -0.973 . . . . 0.0 109.203 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.25 -49.77 75.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.187 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -59.99 -42.41 94.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 109.195 -179.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.89 -36.9 85.46 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.2 -52.66 21.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.312 -179.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.08 -48.41 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.142 -0.974 . . . . 0.0 110.472 -179.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -39.99 87.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.979 -1.075 . . . . 0.0 110.083 -178.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -69.97 -43.57 71.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.09 -1.007 . . . . 0.0 110.471 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.2 -40.96 97.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.07 -1.019 . . . . 0.0 110.294 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.46 -40.01 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 110.157 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.01 -40.05 87.89 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.99 -1.069 . . . . 0.0 110.84 -178.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 pt -78.09 -21.23 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.865 -1.147 . . . . 0.0 111.76 -178.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.496 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 44.7 p -100.0 -5.84 27.48 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.537 -1.352 . . . . 0.0 111.043 -179.258 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -80.46 -38.9 29.14 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.158 -1.589 . . . . 0.0 110.56 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -108.71 18.73 20.5 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.217 -0.927 . . . . 0.0 112.205 -178.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.722 ' NE2' ' H ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -82.58 130.02 35.04 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.07 -1.644 . . . . 0.0 109.529 -179.573 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -87.5 -79.73 0.28 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.889 -1.132 . . . . 0.0 107.967 178.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.72 152.43 72.28 Favored Pre-proline 0 N--CA 1.488 1.435 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -48.99 146.64 11.72 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 CA-C-N 119.479 0.85 . . . . 0.0 111.359 -179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.05 -48.33 82.15 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.061 -1.024 . . . . 0.0 108.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' GLY . 99.3 m -84.54 159.73 20.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.03 69.34 0.33 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.046 -1.034 . . . . 0.0 109.747 179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 59.99 23.42 59.31 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.144 -1.183 . . . . 0.0 110.144 179.418 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -62.74 146.1 53.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.991 -1.3 . . . . 0.0 110.095 -179.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.1 mtp -115.85 150.17 37.45 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.2 m -129.99 159.98 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.444 -0.785 . . . . 0.0 110.065 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 89' ' ' LYS . 89.1 m95 -74.1 133.37 42.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.683 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 p -70.0 151.95 44.98 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.75 162.72 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.287 -0.883 . . . . 0.0 109.961 -179.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -90.01 117.19 28.62 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -80.19 112.88 17.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.0 109.513 -178.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.3 p -149.01 -82.56 0.11 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.295 -0.878 . . . . 0.0 109.488 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -115.12 -64.83 1.26 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.493 -0.755 . . . . 0.0 109.469 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.91 40.02 0.31 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 41' ' ' ALA . 25.5 mtp -59.99 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.392 -1.064 . . . . 0.0 110.086 -179.232 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.2 -44.79 87.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.437 -0.789 . . . . 0.0 110.172 -179.119 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.67 -47.26 66.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.134 -0.979 . . . . 0.0 109.413 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.29 89.96 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.086 -1.008 . . . . 0.0 109.601 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.07 -49.99 75.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 0.0 110.772 -178.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 82' ' ' SER . 12.9 pt-20 -58.8 -36.65 74.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.539 -1.351 . . . . 0.0 109.74 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 94.9 p -66.71 -40.35 88.39 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.018 -1.051 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.0 -38.66 76.04 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 52' ' ' ILE . 17.4 mm -54.62 -16.48 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.264 -0.897 . . . . 0.0 109.366 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -84.63 -14.86 47.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.979 -1.075 . . . . 0.0 109.158 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -90.53 122.48 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.316 -0.865 . . . . 0.0 109.242 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -121.58 148.87 43.96 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.565 -0.709 . . . . 0.0 109.668 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.69 -10.21 72.78 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.92 88.9 4.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.015 -1.285 . . . . 0.0 109.153 179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.9 t -73.47 -33.37 64.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.167 -0.958 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -19.09 0.64 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 110.67 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.7 pt -113.55 7.75 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.242 -0.911 . . . . 0.0 109.344 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -60.08 -47.82 84.27 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' O ' ' SD ' ' A' ' 66' ' ' MET . 66.1 mttm -61.62 -38.42 87.57 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.41 0.624 . . . . 0.0 109.408 179.007 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.2 m -59.49 -40.95 88.65 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.418 -0.802 . . . . 0.0 109.726 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.93 -49.36 77.98 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -61.44 -41.67 97.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.85 -1.156 . . . . 0.0 108.91 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 62' ' ' LYS . 8.8 mtp -60.91 -40.85 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.329 -0.857 . . . . 0.0 108.934 179.556 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.4 -36.91 82.23 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' CYS . 72.0 m -58.97 -38.38 78.96 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.57 -0.706 . . . . 0.0 109.351 -179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.58 -29.93 12.61 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -95.01 -3.39 48.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.256 -1.144 . . . . 0.0 109.129 179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.538 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.2 t -134.11 80.0 54.86 Favored Pre-proline 0 N--CA 1.498 1.946 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -49.83 -21.92 6.53 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.536 1.49 . . . . 0.0 114.613 -178.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 3.4 p80 -93.57 116.71 29.23 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 109.475 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.44 135.03 38.25 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 -179.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' VAL . 9.7 p -114.99 129.86 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.511 -0.743 . . . . 0.0 109.66 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.4 p -94.37 172.74 8.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.327 -0.858 . . . . 0.0 109.227 179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.55 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -41.88 93.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.151 -0.968 . . . . 0.0 109.85 -179.613 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.08 -39.49 95.83 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -87.56 134.12 33.68 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.164 -1.198 . . . . 0.0 110.205 -179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 86.0 m-85 -129.86 152.18 49.62 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.548 -0.72 . . . . 0.0 109.207 179.594 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.9 m -122.34 -50.16 2.01 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.5 -0.75 . . . . 0.0 111.536 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 6.4 t -106.46 0.01 24.42 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.034 -1.041 . . . . 0.0 112.329 -177.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.4 mp -86.33 21.59 2.04 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.385 -1.447 . . . . 0.0 109.881 -179.306 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.422 ' ND1' ' N ' ' A' ' 84' ' ' HIS . 2.1 m-70 -76.14 -39.0 56.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.126 -0.984 . . . . 0.0 108.513 178.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.55 151.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -89.87 73.02 7.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.104 -0.997 . . . . 0.0 109.847 -179.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -82.92 169.82 15.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -0.765 . . . . 0.0 109.201 179.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -92.76 151.59 19.95 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 109.179 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 35' ' ' TRP . 48.2 mttm -83.86 153.5 23.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.087 -1.008 . . . . 0.0 109.778 -179.645 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.7 pt -134.92 159.96 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.42 147.4 53.49 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.533 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' SER . 54.2 t -58.31 -41.07 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.034 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.92 -39.98 63.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.002 -1.062 . . . . 0.0 109.863 -179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -74.3 -35.45 63.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 0.0 108.61 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.579 -0.701 . . . . 0.0 109.915 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.437 HG11 HG21 ' A' ' 21' ' ' THR . 90.1 t -61.26 -47.99 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.165 -0.959 . . . . 0.0 110.02 -179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.13 -44.39 94.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.184 -0.947 . . . . 0.0 109.963 -179.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.22 -39.99 88.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.762 -1.211 . . . . 0.0 108.512 179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.56 -39.07 92.48 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.65 -0.656 . . . . 0.0 109.258 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.9 -43.46 81.36 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.459 -0.776 . . . . 0.0 111.146 -178.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 2.8 mm? -60.01 -44.9 94.26 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.498 -1.376 . . . . 0.0 110.055 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -70.2 -39.93 74.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 111.796 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.13 -50.86 72.03 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.369 -1.457 . . . . 0.0 110.008 -177.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -27.08 66.14 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.053 -1.029 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.9 -46.81 86.08 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.939 -1.101 . . . . 0.0 110.113 -179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 111' ' ' ARG . 1.8 mm? -61.23 -30.16 70.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.018 -1.051 . . . . 0.0 109.484 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.06 -39.99 87.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.037 -1.04 . . . . 0.0 109.209 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -60.04 -38.99 84.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.469 -0.769 . . . . 0.0 110.155 -179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -85.03 -12.44 53.13 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.059 -1.026 . . . . 0.0 110.588 -178.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.88 -0.51 13.98 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 -179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 106' ' ' LEU . 46.4 mtt-85 -94.66 100.52 12.44 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -90.52 126.01 35.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.762 . . . . 0.0 110.573 -177.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.484 -0.76 . . . . 0.0 109.567 179.97 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.1 mtm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.339 0.59 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.37 161.8 53.38 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -53.23 -179.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 120.973 1.116 . . . . 0.0 111.805 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 4' ' ' VAL . 5.2 m -81.16 141.23 49.85 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.124 -0.985 . . . . 0.0 109.549 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -53.96 167.2 1.19 Allowed 'Trans proline' 0 N--CA 1.492 1.419 0 CA-C-N 119.564 0.88 . . . . 0.0 111.888 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -68.77 -55.72 0.2 Allowed 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.255 1.303 . . . . 0.0 112.552 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -60.42 -39.42 87.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.906 . . . . 0.0 109.934 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.6 m -66.94 -40.01 87.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.24 -0.912 . . . . 0.0 109.99 -179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -45.91 89.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.932 -1.105 . . . . 0.0 109.17 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.03 -49.82 76.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.02 -43.89 94.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 109.573 -179.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.52 -39.97 92.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.0 109.149 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.4 -45.5 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.347 -0.846 . . . . 0.0 109.932 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.17 -46.16 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.069 -1.019 . . . . 0.0 109.604 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.05 -40.9 91.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.198 -0.939 . . . . 0.0 110.13 -179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' OE2' ' NZ ' ' A' ' 62' ' ' LYS . 86.2 tt0 -70.66 -43.63 68.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.18 -179.267 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.4 -43.09 99.47 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.056 -1.027 . . . . 0.0 109.781 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' CG1' ' NE2' ' A' ' 22' ' ' GLN . 54.6 t -65.9 -41.88 90.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.318 -179.327 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -60.02 -40.08 88.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.101 -0.999 . . . . 0.0 111.318 -178.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 pt -77.93 -20.53 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.897 -1.127 . . . . 0.0 112.027 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.3 p -98.23 -15.3 19.9 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.7 -1.25 . . . . 0.0 111.325 -178.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.426 ' NE2' ' CG1' ' A' ' 18' ' ' VAL . 90.1 mt-30 -74.57 -30.58 61.77 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.448 -1.407 . . . . 0.0 109.926 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -95.46 -6.32 40.97 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.162 -0.961 . . . . 0.0 111.125 -179.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -84.0 127.88 34.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.391 -1.443 . . . . 0.0 109.734 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -88.8 -80.01 0.3 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.09 156.57 74.26 Favored Pre-proline 0 C--N 1.304 -1.407 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -42.7 140.96 2.64 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 120.676 0.917 . . . . 0.0 111.865 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.93 -40.96 99.21 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.194 -0.941 . . . . 0.0 109.626 -179.367 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.7 m -82.86 163.84 20.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.378 -0.826 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -66.91 44.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.489 -0.757 . . . . 0.0 109.227 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 78.57 29.07 53.84 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 -179.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.2 m -59.81 139.95 56.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.317 -1.107 . . . . 0.0 109.509 -179.709 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.3 mmm -107.61 148.04 29.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.643 -0.661 . . . . 0.0 109.688 -179.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.1 m -130.28 160.04 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -75.97 128.53 35.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.6 p -70.95 149.99 46.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.181 -0.949 . . . . 0.0 108.729 178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.25 161.94 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.298 -0.876 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -84.19 125.71 32.44 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -81.42 115.32 20.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 -178.298 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' H ' ' HG2' ' A' ' 43' ' ' MET . 82.7 p -140.73 -100.0 0.15 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.406 -0.809 . . . . 0.0 109.548 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -114.69 -56.4 2.39 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.416 -0.803 . . . . 0.0 109.865 -179.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.74 37.1 0.72 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.487 ' H ' ' C ' ' A' ' 41' ' ' ALA . 65.3 mtm -61.23 -40.81 95.42 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.334 -1.098 . . . . 0.0 110.327 -179.155 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -60.18 -50.07 75.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.572 -178.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.6 m -67.06 -50.18 62.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.001 -1.062 . . . . 0.0 109.789 -179.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.85 91.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.42 92.91 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.958 -1.089 . . . . 0.0 109.763 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.99 -49.96 75.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.421 -0.8 . . . . 0.0 111.084 -178.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.6 pt-20 -59.18 -39.0 81.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.719 -1.238 . . . . 0.0 110.113 -179.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -40.03 95.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.787 -1.196 . . . . 0.0 109.451 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.88 -33.8 74.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.147 -0.97 . . . . 0.0 109.655 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 52' ' ' ILE . 18.0 mm -55.06 -21.18 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.231 -0.918 . . . . 0.0 109.398 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -82.53 -8.87 59.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.088 -1.008 . . . . 0.0 109.982 -179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -88.63 124.41 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.046 -1.034 . . . . 0.0 109.67 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -127.5 144.38 51.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.569 -0.707 . . . . 0.0 109.133 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.66 31.2 11.64 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -144.34 94.71 2.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.045 -1.268 . . . . 0.0 109.713 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -69.67 -37.46 76.7 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.463 -0.773 . . . . 0.0 109.92 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.24 -30.83 3.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.618 -0.676 . . . . 0.0 111.698 -178.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 pt -100.52 -7.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 O-C-N 120.901 -1.124 . . . . 0.0 111.758 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.08 -41.35 92.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.442 -1.411 . . . . 0.0 109.0 179.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 10.0 mtpm? -61.55 -40.14 93.62 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.0 108.64 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.74 -39.98 90.72 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.435 179.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.96 -44.03 94.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 111.475 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 13.6 ptm180 -67.24 -41.17 86.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.434 -1.416 . . . . 0.0 109.999 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.8 mtm -63.54 -40.1 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.804 -1.185 . . . . 0.0 109.502 179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.08 -40.04 88.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.122 -0.986 . . . . 0.0 108.86 178.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.8 m -55.91 -34.73 65.85 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.329 -0.857 . . . . 0.0 108.997 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.97 -32.48 19.45 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -97.07 -2.12 43.92 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.248 -1.149 . . . . 0.0 109.203 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 17.5 t -137.33 84.44 23.89 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -54.53 -20.7 21.74 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.138 1.226 . . . . 0.0 113.873 -178.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 13.2 p80 -91.84 109.16 20.48 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.718 -1.239 . . . . 0.0 109.506 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.47 141.85 41.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.129 -0.982 . . . . 0.0 109.453 -179.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 46.5 t -110.02 130.01 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.549 -0.719 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -94.29 169.21 10.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.095 -1.003 . . . . 0.0 110.017 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -62.56 -17.62 60.35 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.389 -0.819 . . . . 0.0 110.413 -179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.28 -33.48 6.85 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 -179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.426 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 94.8 mm-40 -93.2 126.91 38.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.158 -1.201 . . . . 0.0 110.131 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 83' ' ' LEU . 85.0 m-85 -130.2 150.52 51.41 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.544 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 38.8 m -121.98 -48.7 2.11 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.421 -0.799 . . . . 0.0 111.232 -179.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.528 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 8.0 t -94.4 -0.24 54.97 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.885 -1.135 . . . . 0.0 111.919 -177.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.595 HD12 ' CD1' ' A' ' 80' ' ' PHE . 19.2 mt -86.66 21.7 2.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.466 -1.396 . . . . 0.0 109.797 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' NE2' ' O ' ' A' ' 81' ' ' SER . 3.0 m-70 -75.38 -39.98 58.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.044 -1.035 . . . . 0.0 109.329 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 t -77.86 151.32 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.536 -0.728 . . . . 0.0 109.883 -179.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -90.31 73.26 7.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.19 -0.944 . . . . 0.0 109.316 -179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -83.48 175.87 9.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.376 -0.828 . . . . 0.0 109.096 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.5 m -93.55 147.8 22.66 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.036 -1.04 . . . . 0.0 109.502 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -86.57 150.55 24.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.212 -0.93 . . . . 0.0 109.277 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 pt -133.12 160.56 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.468 -0.77 . . . . 0.0 109.756 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.71 146.51 54.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.336 -0.853 . . . . 0.0 109.612 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.52 -40.07 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.23 -0.919 . . . . 0.0 110.659 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.89 66.61 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.832 -1.168 . . . . 0.0 110.35 -179.102 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -73.95 -33.66 63.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.077 -1.015 . . . . 0.0 109.037 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -59.98 -49.25 78.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.477 -0.764 . . . . 0.0 109.671 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.36 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.349 -0.844 . . . . 0.0 109.984 -179.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.68 -43.99 97.81 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.895 . . . . 0.0 110.121 -179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -41.79 92.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.936 -1.103 . . . . 0.0 108.855 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.7 tp -65.04 -35.77 82.23 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.686 -0.634 . . . . 0.0 109.498 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.1 -43.71 91.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.295 -0.878 . . . . 0.0 111.154 -178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.96 -44.2 94.57 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.82 -1.175 . . . . 0.0 109.524 -179.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -69.8 -38.27 76.57 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.095 -1.003 . . . . 0.0 111.642 -179.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.5 mt -59.69 -50.1 75.15 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.305 -1.497 . . . . 0.0 110.656 -177.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.7 pttt -69.78 -21.9 63.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.542 -1.349 . . . . 0.0 110.397 179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -66.36 -47.26 73.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.945 -1.097 . . . . 0.0 110.77 -179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.4 mm? -60.58 -27.43 67.7 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.925 -1.11 . . . . 0.0 109.384 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.09 -39.95 87.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.031 -1.043 . . . . 0.0 109.788 -179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.1 -33.8 75.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.192 -0.942 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -85.34 -13.21 50.26 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.184 -0.947 . . . . 0.0 110.195 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.93 7.49 23.47 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -94.11 97.94 10.65 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.162 -1.199 . . . . 0.0 108.46 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.18 131.55 41.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.434 -0.791 . . . . 0.0 110.003 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.655 179.92 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.06 169.55 48.83 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -46.62 173.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.173 1.249 . . . . 0.0 111.667 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.7 m -79.98 144.74 59.89 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.097 -1.002 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -63.25 166.39 14.96 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 120.561 0.84 . . . . 0.0 112.236 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -60.72 -40.45 54.78 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.304 1.336 . . . . 0.0 112.397 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.5 p -62.85 -39.27 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.288 -0.883 . . . . 0.0 109.199 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 m -67.86 -41.85 82.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.402 -0.811 . . . . 0.0 109.407 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.39 81.92 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.317 -0.865 . . . . 0.0 108.774 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.71 -47.64 85.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.395 -0.816 . . . . 0.0 109.496 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -60.0 -42.95 95.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.0 109.279 -179.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.59 -39.98 94.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.134 -0.979 . . . . 0.0 109.441 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 tp -64.91 -49.2 71.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.461 -0.774 . . . . 0.0 109.421 -179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.31 -49.94 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 110.466 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.43 -40.1 89.85 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.033 -1.042 . . . . 0.0 110.555 -178.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -71.08 -44.38 65.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.976 -1.077 . . . . 0.0 110.436 -179.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.07 -42.43 94.55 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.017 -1.052 . . . . 0.0 109.877 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.18 -40.1 87.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.449 -0.782 . . . . 0.0 109.38 -179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.71 -44.65 93.61 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.496 -0.753 . . . . 0.0 111.292 -178.465 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.5 pt -79.39 -22.2 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.055 -1.028 . . . . 0.0 111.899 -178.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 49.7 p -98.12 -4.09 36.46 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.756 -1.215 . . . . 0.0 111.198 -178.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -85.79 -55.02 4.17 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.619 -1.301 . . . . 0.0 110.625 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.521 ' N ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -97.82 32.56 2.32 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.312 -0.868 . . . . 0.0 110.957 -178.33 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.517 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 1.5 pm0 -81.05 129.56 34.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.731 -1.231 . . . . 0.0 110.285 -179.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -84.77 -74.4 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 178.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.48 162.76 59.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -55.82 169.06 1.44 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 120.969 1.113 . . . . 0.0 112.186 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.29 -21.38 64.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 31' ' ' GLY . 52.2 m -145.88 169.79 17.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.224 -0.923 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -66.39 54.05 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.497 -0.752 . . . . 0.0 109.73 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 73.72 13.87 80.2 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 92' ' ' VAL . 70.5 m -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.983 -1.304 . . . . 0.0 109.343 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.0 mtm -118.31 160.01 22.39 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.45 160.75 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.463 -0.773 . . . . 0.0 109.227 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -71.62 138.35 48.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 109.13 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -69.98 152.7 44.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.999 -1.063 . . . . 0.0 109.416 179.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.5 162.11 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.336 -0.853 . . . . 0.0 109.73 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -90.76 120.92 32.2 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -80.22 116.48 20.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.947 -1.096 . . . . 0.0 109.163 -179.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.3 p -146.04 -81.0 0.15 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.145 -0.972 . . . . 0.0 110.03 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -122.24 -75.5 0.59 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.41 -0.806 . . . . 0.0 109.953 -179.433 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 45.88 0.24 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' ALA . 62.0 mtm -60.14 -40.1 88.66 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.281 -1.129 . . . . 0.0 109.458 -179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -62.06 -46.63 88.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.327 -0.858 . . . . 0.0 110.285 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -67.86 -47.94 67.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.951 -1.093 . . . . 0.0 109.769 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.56 93.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 108.728 179.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.13 95.25 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.265 -0.897 . . . . 0.0 109.563 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.97 -50.71 72.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.377 -0.827 . . . . 0.0 110.863 -179.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -59.95 -35.04 74.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.872 -1.143 . . . . 0.0 110.359 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.6 p -65.93 -40.36 91.34 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.91 -1.119 . . . . 0.0 109.412 -179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 53' ' ' ASN . 97.6 mt -70.04 -37.59 75.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.3 -0.875 . . . . 0.0 109.795 179.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 52' ' ' ILE . 17.7 mm -51.55 -14.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.922 . . . . 0.0 109.408 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 51' ' ' LEU . 16.3 m120 -87.15 -12.68 46.28 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.99 -1.069 . . . . 0.0 109.266 179.141 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.2 t -88.69 127.22 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.177 -0.952 . . . . 0.0 109.515 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.6 m -128.61 148.63 50.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.91 34.09 19.36 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.8 m -145.43 89.43 1.93 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.144 -1.21 . . . . 0.0 109.874 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 60' ' ' ILE . 48.1 t -77.45 -28.67 52.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.007 -1.058 . . . . 0.0 109.795 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.54 -11.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 0.0 110.107 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 58' ' ' SER . 33.6 pt -122.66 11.26 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.357 -0.839 . . . . 0.0 108.799 179.364 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -59.86 -47.68 84.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.86 -40.01 93.88 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -58.77 -40.12 82.98 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.52 -0.738 . . . . 0.0 109.534 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -60.15 -40.73 90.87 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.641 179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -65.15 -49.32 70.32 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.173 -0.954 . . . . 0.0 110.65 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.4 mtm -61.38 -40.14 93.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.08 -1.012 . . . . 0.0 110.522 -179.092 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.77 -39.89 90.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.969 -1.082 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.8 m -58.2 -38.05 75.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.163 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.79 -31.74 16.88 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -97.01 -0.42 47.34 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.991 -1.299 . . . . 0.0 109.222 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 8.8 t -132.22 79.96 64.99 Favored Pre-proline 0 N--CA 1.496 1.874 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -52.85 9.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.762 1.641 . . . . 0.0 114.585 -178.257 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.64 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.7 p80 -133.28 121.36 22.32 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.974 -1.079 . . . . 0.0 109.315 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -79.49 145.87 33.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.007 -179.451 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.2 t -105.05 139.73 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -0.813 . . . . 0.0 108.931 179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.3 t -95.18 159.37 15.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.31 -0.869 . . . . 0.0 109.294 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.0 -12.65 8.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.0 109.794 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.1 -24.37 9.06 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -92.4 122.73 35.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.066 -1.255 . . . . 0.0 110.402 -179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.92 141.61 50.76 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.544 -0.723 . . . . 0.0 109.25 179.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.432 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 6.7 m -122.8 -40.75 2.41 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.391 -0.818 . . . . 0.0 111.36 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -96.84 -10.06 27.37 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.848 -1.158 . . . . 0.0 112.507 -177.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 83' ' ' LEU . 9.7 mp -80.85 29.79 0.32 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.518 -1.364 . . . . 0.0 109.147 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.432 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -78.5 -31.49 47.75 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -77.88 148.15 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.27 -0.894 . . . . 0.0 109.81 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' HH11 ' A' ' 86' ' ' ARG . 27.9 mtm-85 -91.49 57.86 3.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.165 -0.96 . . . . 0.0 108.957 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -83.0 172.19 13.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.579 -0.701 . . . . 0.0 109.116 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.9 p -91.69 166.45 12.78 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 110.055 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -87.1 152.86 21.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.422 -0.798 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 44.2 pt -129.99 159.81 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.461 -0.774 . . . . 0.0 109.872 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.14 140.73 58.9 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.331 -0.856 . . . . 0.0 109.946 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 32' ' ' SER . 54.6 t -59.22 -40.05 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.461 -0.774 . . . . 0.0 109.431 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.29 -39.94 70.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.122 . . . . 0.0 109.725 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -74.2 -33.36 63.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.087 -1.008 . . . . 0.0 108.651 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -60.1 -47.45 85.85 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.443 -0.786 . . . . 0.0 109.49 179.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 21' ' ' THR . 88.2 t -62.71 -44.24 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.99 -179.571 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.42 -46.53 89.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.147 -0.971 . . . . 0.0 109.903 -179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.14 88.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.893 -1.129 . . . . 0.0 108.424 179.061 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.8 -35.92 82.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.736 -0.602 . . . . 0.0 109.443 179.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 61.5 tp -58.77 -43.22 90.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 110.933 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 3.4 mm? -60.0 -45.64 92.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.726 -1.234 . . . . 0.0 110.06 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -69.38 -40.06 77.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.882 -1.136 . . . . 0.0 111.526 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.6 -50.94 71.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.375 -1.453 . . . . 0.0 110.6 -177.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -70.04 -18.96 63.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.589 -1.319 . . . . 0.0 110.106 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.935 -1.103 . . . . 0.0 110.505 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 3.4 mm? -62.85 -29.51 70.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.895 -1.128 . . . . 0.0 109.897 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -59.74 -39.93 86.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.994 -1.066 . . . . 0.0 109.224 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -59.96 -39.54 85.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.357 -0.839 . . . . 0.0 109.751 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -84.99 -14.45 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.057 -1.027 . . . . 0.0 109.984 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 68.87 10.51 61.49 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -94.31 100.02 12.14 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.024 -1.28 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.06 120.79 36.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.571 -0.705 . . . . 0.0 109.757 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.299 -0.876 . . . . 0.0 109.626 -179.778 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.64 166.55 51.39 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -51.87 152.27 13.99 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.271 1.314 . . . . 0.0 112.637 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG22 ' H ' ' A' ' 4' ' ' VAL . 8.0 m -82.51 150.25 62.87 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.328 -0.857 . . . . 0.0 108.96 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -60.01 167.26 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 120.538 0.825 . . . . 0.0 112.419 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -65.91 -51.15 1.33 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.766 1.644 . . . . 0.0 113.598 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 99.2 p -59.95 -39.26 84.98 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.181 -0.949 . . . . 0.0 109.913 -178.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.4 m -67.37 -40.68 85.76 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.972 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.94 87.93 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.058 -1.026 . . . . 0.0 110.438 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.9 tp -60.12 -49.22 78.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.947 -1.096 . . . . 0.0 109.36 -179.426 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.02 -42.01 93.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.223 -0.923 . . . . 0.0 109.523 -179.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.5 -38.4 90.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.142 179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.95 -43.12 72.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.4 -0.812 . . . . 0.0 109.914 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.03 -49.78 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.014 -1.054 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.01 -39.98 87.65 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 -179.265 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -68.91 -42.54 76.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.455 -178.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.12 -40.01 94.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.893 -1.129 . . . . 0.0 110.072 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.12 -44.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.265 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.07 -41.01 91.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.284 -0.885 . . . . 0.0 111.701 -178.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 21' ' ' THR . 38.0 pt -76.35 -23.0 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.806 -1.183 . . . . 0.0 111.78 -178.076 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 HG13 ' A' ' 20' ' ' ILE . 72.0 p -98.06 -16.48 19.58 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.751 -1.218 . . . . 0.0 110.826 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -75.62 -39.86 57.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.825 -1.172 . . . . 0.0 110.386 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -96.33 6.88 47.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.143 -0.973 . . . . 0.0 111.562 -178.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -83.0 130.0 35.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.478 -1.389 . . . . 0.0 109.899 -179.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -89.95 -79.96 0.33 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.1 156.16 72.05 Favored Pre-proline 0 N--CA 1.491 1.591 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -43.51 142.12 3.23 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 120.744 0.963 . . . . 0.0 111.775 179.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.5 -44.2 97.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.86 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' GLY . 65.7 m -87.17 162.77 17.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.447 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -67.24 45.86 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.312 -0.868 . . . . 0.0 109.688 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 80.05 22.99 62.31 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 92' ' ' VAL . 53.0 m -63.02 146.36 53.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.314 -1.109 . . . . 0.0 110.146 -179.686 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 80.0 mtp -114.18 156.53 24.09 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.0 160.02 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.805 . . . . 0.0 109.356 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -75.88 129.81 37.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -0.875 . . . . 0.0 110.119 -179.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -69.35 138.77 53.98 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.327 -0.858 . . . . 0.0 108.706 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt -127.84 163.84 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -85.22 124.2 31.59 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.6 mm? -78.82 116.25 19.03 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.1 -1.0 . . . . 0.0 109.163 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.456 ' H ' ' HG2' ' A' ' 43' ' ' MET . 70.2 p -144.36 -116.76 0.09 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.22 -0.925 . . . . 0.0 110.217 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 43' ' ' MET . . . -90.02 -78.46 0.37 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.167 -0.958 . . . . 0.0 111.194 -178.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.51 41.93 0.08 OUTLIER Glycine 0 N--CA 1.5 2.923 0 O-C-N 121.356 -0.84 . . . . 0.0 111.082 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -1.211 . . . . 0.0 110.204 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -58.33 -47.12 84.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.267 -0.896 . . . . 0.0 109.457 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.2 m -68.61 -48.03 65.17 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.14 -0.975 . . . . 0.0 109.232 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.93 83.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.136 -0.977 . . . . 0.0 109.642 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.83 92.69 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.063 -1.023 . . . . 0.0 109.624 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.812 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 82' ' ' SER . 11.6 pt-20 -59.96 -36.29 76.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.842 -1.161 . . . . 0.0 110.208 -179.162 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m -60.92 -40.98 95.24 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.854 -1.154 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 90.2 mt -70.02 -32.22 70.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.256 -0.903 . . . . 0.0 110.024 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 mm -52.96 -24.85 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 109.296 -179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' ' CD2' ' A' ' 83' ' ' LEU . 93.6 m-20 -82.68 -10.89 58.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.026 -1.046 . . . . 0.0 109.252 179.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.81 123.09 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.926 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.5 m -128.82 155.33 45.35 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.57 -0.706 . . . . 0.0 109.329 179.649 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 31.32 22.84 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.5 m -142.76 93.89 2.57 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.256 -1.144 . . . . 0.0 109.435 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -70.01 -37.72 75.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.268 -0.895 . . . . 0.0 110.462 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.37 -21.99 1.66 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.342 -0.849 . . . . 0.0 111.797 -178.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.9 pt -105.36 -8.41 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.829 -179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.0 -42.82 95.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.52 -1.363 . . . . 0.0 109.154 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -62.57 -40.0 95.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.858 -1.151 . . . . 0.0 108.223 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -37.94 81.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.591 -0.693 . . . . 0.0 109.412 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 51' ' ' LEU . 47.6 mm-40 -60.01 -41.41 92.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.88 . . . . 0.0 109.881 -179.023 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -64.25 -46.29 84.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.959 -1.088 . . . . 0.0 109.511 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 57.5 mtm -62.57 -41.27 98.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.076 -1.015 . . . . 0.0 109.607 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.06 -39.94 94.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.106 -0.997 . . . . 0.0 108.727 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -60.04 -39.92 87.62 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.63 -29.95 12.98 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -96.94 -2.33 43.91 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.244 -1.151 . . . . 0.0 109.343 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 15.7 t -136.85 80.36 36.82 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.403 -0.811 . . . . 0.0 109.018 -179.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -51.53 -21.77 11.3 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.253 1.302 . . . . 0.0 113.691 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 7.6 p80 -94.32 110.37 22.13 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.956 -1.09 . . . . 0.0 109.496 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -76.7 142.27 40.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.168 -0.957 . . . . 0.0 109.687 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 79' ' ' GLN . 62.5 t -106.42 129.41 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.361 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.467 ' H ' ' HB2' ' A' ' 79' ' ' GLN . 51.6 p -89.32 169.99 10.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.295 -0.878 . . . . 0.0 109.801 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' O ' ' CZ ' ' A' ' 80' ' ' PHE . . . -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.72 . . . . 0.0 109.943 -179.63 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.45 -15.86 77.24 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' HB2' ' H ' ' A' ' 76' ' ' SER . 95.3 mt-30 -96.72 128.17 43.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.061 -1.258 . . . . 0.0 109.797 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' CZ ' ' O ' ' A' ' 77' ' ' ALA . 72.7 m-85 -130.9 152.93 49.69 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -121.08 -54.31 2.02 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.456 -0.777 . . . . 0.0 111.679 -178.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 5.2 t -115.47 9.94 15.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.007 -1.058 . . . . 0.0 111.871 -177.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' CD2' ' ND2' ' A' ' 53' ' ' ASN . 9.1 mp -85.46 6.79 25.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.683 -1.26 . . . . 0.0 108.475 179.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 2.3 m170 -84.26 -5.97 59.33 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.072 0.939 . . . . 0.0 108.478 -179.058 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.9 t -80.1 152.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.215 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -87.46 52.68 2.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.075 -1.015 . . . . 0.0 109.178 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -83.12 162.43 21.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 89' ' ' LYS . 89.9 m -92.43 159.37 15.58 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.274 -0.891 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 88' ' ' THR . 85.5 mttt -86.96 146.17 26.25 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.116 -0.99 . . . . 0.0 109.461 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.7 pt -131.7 161.56 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.686 . . . . 0.0 109.494 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.73 145.28 55.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.224 -0.922 . . . . 0.0 109.916 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 32' ' ' SER . 54.5 t -58.39 -41.28 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.33 -0.856 . . . . 0.0 110.237 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.01 -43.71 66.71 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.048 -1.032 . . . . 0.0 110.15 -179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -71.95 -36.79 69.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.131 -0.98 . . . . 0.0 109.166 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -59.97 -45.73 91.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.57 -0.706 . . . . 0.0 110.117 179.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.56 -49.98 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.07 -1.019 . . . . 0.0 110.52 -178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -41.3 93.79 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.796 -1.19 . . . . 0.0 110.558 -179.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.812 -1.18 . . . . 0.0 108.657 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.75 -39.97 95.8 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.7 tp -56.08 -40.91 74.32 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.344 -0.847 . . . . 0.0 111.07 -178.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.4 mm? -59.97 -47.58 85.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.682 -1.261 . . . . 0.0 110.104 -179.574 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -69.67 -36.29 75.91 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.793 -1.192 . . . . 0.0 111.66 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.6 mt -58.71 -50.01 75.47 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.41 -1.432 . . . . 0.0 110.468 -177.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -66.43 -23.17 66.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.849 -1.157 . . . . 0.0 110.149 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.53 -48.07 73.76 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.205 -0.934 . . . . 0.0 111.273 -178.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 106' ' ' LEU . 3.8 mm? -60.04 -31.54 70.06 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.749 -1.22 . . . . 0.0 109.819 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.98 -36.78 77.88 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.107 -0.995 . . . . 0.0 109.172 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -60.01 -40.02 87.83 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 110.149 -179.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -89.92 -14.07 34.95 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.738 -1.226 . . . . 0.0 110.47 -179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.68 12.96 80.65 Favored Glycine 0 N--CA 1.49 2.276 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.598 179.343 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' HH11 ' A' ' 111' ' ' ARG . 10.3 mtm-85 -95.32 98.83 10.87 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.917 -1.343 . . . . 0.0 108.824 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' O ' ' OXT' ' A' ' 113' ' ' ASN . 68.4 m-85 -93.26 140.18 29.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.167 -179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.436 ' OXT' ' OD1' ' A' ' 113' ' ' ASN . 6.2 p30 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.822 -0.548 . . . . 0.0 110.178 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.04 165.21 50.64 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -45.25 164.01 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 120.868 1.045 . . . . 0.0 111.651 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 4' ' ' VAL . 4.5 m -80.67 149.56 68.04 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.07 -1.018 . . . . 0.0 109.324 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -54.23 164.59 2.65 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 119.293 0.783 . . . . 0.0 111.798 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -68.6 -55.64 0.21 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.159 1.24 . . . . 0.0 112.177 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.2 p -61.21 -39.0 88.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.469 -0.769 . . . . 0.0 110.098 -179.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -68.68 -40.05 80.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 -179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.07 95.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.892 -1.13 . . . . 0.0 108.625 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.97 -45.14 93.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.45 -0.781 . . . . 0.0 109.081 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.16 -40.08 96.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.491 -0.756 . . . . 0.0 109.558 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.22 -41.98 76.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 109.944 -179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.41 -44.2 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.04 -1.038 . . . . 0.0 109.535 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -40.03 87.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.0 109.982 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -69.87 -45.71 67.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.126 -0.984 . . . . 0.0 109.442 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.72 -41.5 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.307 -0.871 . . . . 0.0 110.109 -179.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.79 -43.57 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.175 -0.953 . . . . 0.0 110.28 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.02 -40.4 89.15 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.199 -0.938 . . . . 0.0 111.725 -178.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 pt -75.37 -21.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.869 -1.144 . . . . 0.0 112.143 -177.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 p -97.15 -22.61 16.64 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.714 -1.241 . . . . 0.0 110.231 -179.366 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -77.78 -29.66 51.0 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.79 -1.194 . . . . 0.0 109.739 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -95.87 5.86 50.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.226 -0.921 . . . . 0.0 110.622 -179.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 13.1 pt20 -83.79 117.09 23.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.724 -1.235 . . . . 0.0 109.777 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -84.41 -23.27 30.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -0.98 . . . . 0.0 108.52 179.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -142.0 159.56 58.67 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 24.2 Cg_exo -40.23 143.6 0.48 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 121.086 1.191 . . . . 0.0 112.44 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.32 -3.75 18.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.388 -0.82 . . . . 0.0 109.776 -179.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' GLY . 95.5 m -146.35 170.49 16.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.049 -1.032 . . . . 0.0 109.983 -179.506 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.83 43.97 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.493 -0.755 . . . . 0.0 109.641 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 79.81 30.68 42.6 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.3 m -59.94 140.0 57.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.197 . . . . 0.0 109.158 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.1 mtp -120.03 151.05 39.57 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.61 162.72 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.43 -0.794 . . . . 0.0 109.856 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -72.62 135.54 45.52 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.46 -0.775 . . . . 0.0 110.107 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -70.71 150.28 46.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 108.923 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 pt -138.01 166.66 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.231 -0.918 . . . . 0.0 109.902 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -86.84 122.37 30.62 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 178.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.704 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.5 mm? -80.81 115.28 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.139 -0.976 . . . . 0.0 109.571 -178.623 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.454 ' H ' ' CG ' ' A' ' 43' ' ' MET . 41.7 p -143.72 -101.97 0.12 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.166 -0.959 . . . . 0.0 109.883 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -118.58 -51.92 2.37 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.37 -0.831 . . . . 0.0 110.082 -179.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.13 29.56 0.67 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.544 ' H ' ' C ' ' A' ' 41' ' ' ALA . 71.6 mtm -61.15 -40.02 92.26 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.473 -1.016 . . . . 0.0 110.378 -179.29 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -59.67 -43.96 93.76 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.272 -0.892 . . . . 0.0 109.207 -178.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.8 m -68.7 -55.67 10.64 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.407 -0.808 . . . . 0.0 109.133 179.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.24 98.46 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.485 -0.76 . . . . 0.0 110.553 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' MET . . . -63.0 -40.08 96.71 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.77 -1.206 . . . . 0.0 109.951 -179.355 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.227 -0.921 . . . . 0.0 110.767 -178.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 82' ' ' SER . 7.4 pt-20 -58.64 -35.17 72.09 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.759 -1.213 . . . . 0.0 110.03 -179.431 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.3 p -62.43 -39.87 94.71 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.927 -1.108 . . . . 0.0 108.926 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.98 -32.92 71.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.47 -21.18 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 0.0 109.765 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -82.62 -10.18 59.06 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.057 -1.027 . . . . 0.0 109.227 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.01 121.93 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.5 m -128.75 150.3 50.34 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.482 -0.761 . . . . 0.0 109.599 -179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 25.49 31.0 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.8 m -144.98 93.19 2.36 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.214 -1.168 . . . . 0.0 109.726 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 60' ' ' ILE . 47.4 t -70.19 -38.41 75.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.729 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.09 -11.53 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.509 -0.744 . . . . 0.0 111.677 -178.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 58' ' ' SER . 29.3 pt -121.53 -6.49 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.0 -40.25 88.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 108.843 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.06 -39.98 94.24 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -40.38 89.13 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.544 -0.723 . . . . 0.0 109.437 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.06 -41.7 92.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.085 -1.009 . . . . 0.0 109.726 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -64.99 -45.08 87.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 110.152 -179.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 77.6 mtm -65.0 -39.91 94.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.012 -1.055 . . . . 0.0 110.358 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.05 -39.94 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.989 -1.07 . . . . 0.0 109.554 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 61.7 m -59.46 -39.87 85.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.196 -0.94 . . . . 0.0 109.147 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.49 -25.14 4.31 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -94.55 -19.66 20.31 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.154 -1.203 . . . . 0.0 109.32 179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 73' ' ' HIS . 16.4 t -142.19 96.31 6.53 Favored Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.356 -0.84 . . . . 0.0 109.377 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -56.48 37.96 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.13 0 C-N-CA 121.851 1.701 . . . . 0.0 113.148 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -90.2 108.82 19.99 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.965 -1.084 . . . . 0.0 111.579 -177.806 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -81.76 93.16 6.76 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 176.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 m -95.78 125.69 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -178.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.3 p -97.29 164.53 12.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.414 -0.804 . . . . 0.0 109.021 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' O ' ' CE2' ' A' ' 80' ' ' PHE . . . -60.27 -15.91 29.31 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.251 -0.906 . . . . 0.0 109.372 179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -98.55 -30.87 6.66 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.246 -1.141 . . . . 0.0 110.246 -179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.04 122.67 32.6 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.0 -1.294 . . . . 0.0 110.073 -179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 77' ' ' ALA . 89.0 m-85 -129.57 145.49 51.47 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.477 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 9.5 m -121.75 -42.56 2.41 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.37 -0.831 . . . . 0.0 111.51 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 37.3 t -98.22 -0.91 43.22 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.905 -1.122 . . . . 0.0 112.513 -177.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 83' ' ' LEU . 10.1 mp -86.67 24.32 1.48 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.438 -1.414 . . . . 0.0 109.195 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.477 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.8 m-70 -75.08 -35.36 61.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 109.538 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.76 142.24 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 108.979 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HG3' HH11 ' A' ' 86' ' ' ARG . 22.2 mmm-85 -89.57 61.02 5.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.184 -0.947 . . . . 0.0 108.575 -179.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -81.71 175.51 10.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.478 -0.764 . . . . 0.0 108.969 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.6 p -91.02 160.04 15.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 109.248 -179.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -85.81 157.58 20.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.266 -0.896 . . . . 0.0 109.437 -179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 pt -133.0 160.02 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 0.0 109.355 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -66.91 146.3 54.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.772 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' SER . 51.4 t -58.82 -40.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.337 -0.852 . . . . 0.0 109.754 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.96 60.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.095 -1.003 . . . . 0.0 109.608 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.84 -37.82 62.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.878 . . . . 0.0 108.876 -179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.0 -48.1 83.12 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.756 -0.59 . . . . 0.0 109.962 -179.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -47.13 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 0.0 110.331 -179.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -62.65 -42.29 99.52 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.98 -1.075 . . . . 0.0 110.365 -178.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.99 -43.59 95.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.684 -1.26 . . . . 0.0 108.747 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.716 -0.615 . . . . 0.0 109.46 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.95 -44.84 71.04 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.302 -0.874 . . . . 0.0 110.801 -178.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 3.0 mm? -60.01 -45.13 93.78 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.686 -1.259 . . . . 0.0 110.008 -179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -66.82 -39.41 87.68 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 110.923 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.18 -50.0 75.69 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.542 -1.349 . . . . 0.0 109.647 -178.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -68.48 -24.28 64.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.831 -1.168 . . . . 0.0 110.027 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -64.15 -49.96 70.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.237 -0.914 . . . . 0.0 111.009 -178.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.5 mm? -62.16 -30.72 71.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.84 -1.163 . . . . 0.0 109.205 -179.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -59.91 -36.46 77.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.24 -0.912 . . . . 0.0 109.59 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -60.0 -40.04 87.83 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.475 -0.765 . . . . 0.0 109.911 -178.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.88 -17.37 35.74 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.07 -1.019 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.53 8.04 80.14 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -93.63 95.79 9.42 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.19 -1.183 . . . . 0.0 108.374 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -91.26 146.68 23.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.418 -0.801 . . . . 0.0 110.475 -178.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.526 -0.734 . . . . 0.0 109.716 -179.958 . . . . . . . . 0 0 . 1 stop_ save_