data_1bhb_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 1bhb _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 ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.227 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.227 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.822 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.052 ' CG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.263 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.263 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.634 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.052 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.354 ' CD2' ' CE ' ' A' ' 60' ' ' MET . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.881 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.249 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 1.354 ' CE ' ' CD2' ' A' ' 13' ' ' LEU . 10.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.609 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.501 ' N ' ' CE2' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.225 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.944 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.944 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.225 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.609 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.325 ' CD1' ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.352 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.196 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.966 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.966 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.196 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.817 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.352 ' N ' ' SD ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.325 ' CE1' ' CD1' ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.982 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.335 ' SD ' ' CB ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.15 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 1.631 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.631 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.15 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.335 ' CB ' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.982 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.383 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.976 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.995 ' CE2' ' N ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.995 ' N ' ' CE2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.976 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.383 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.768 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.553 ' CG ' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.267 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.671 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.666 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.267 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CG ' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' CA ' ' A' ' 14' ' ' ALA . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.578 ' CZ3' ' O ' ' A' ' 60' ' ' MET . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.456 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.917 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 1.104 ' CE2' ' N ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.104 ' N ' ' CE2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.456 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.578 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.11 ' CG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.872 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.606 ' CG ' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' CG2' ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.926 ' OG1' ' CZ ' ' A' ' 27' ' ' PHE . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.606 ' CB ' ' CG ' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.872 ' CD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.11 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 1.253 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 1.21 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 1.21 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.588 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.758 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 1.253 ' N ' ' SD ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 1.466 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.907 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.938 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.769 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 1.428 ' CD1' ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.769 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 1.428 ' CG2' ' CD1' ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.938 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.907 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 1.466 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 1.119 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -69.16 -12.62 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.25 5.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m 51.73 76.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.81 -25.91 74.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.424 1.078 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -152.67 153.04 29.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -77.23 81.9 2.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -18.85 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.262 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.227 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.872 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -62.43 -43.43 98.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -90.38 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -147.01 -55.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.91 163.61 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -68.43 -37.16 80.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.414 1.072 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -66.36 -47.44 73.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.2 -40.39 89.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.872 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 84.1 t80 -66.68 -38.69 87.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.51 79.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.227 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.822 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm -69.29 -50.05 50.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.262 ' CD1' ' CD1' ' A' ' 10' ' ' TRP . 3.9 mm? -63.88 -33.5 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.75 -37.39 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.17 89.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -78.06 -34.78 50.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.48 55.2 10.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.596 ' CB ' ' CD1' ' A' ' 10' ' ' TRP . 2.7 mm? -106.72 -67.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -77.74 -36.36 50.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.1 mmm -74.38 -30.37 61.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -132.38 81.63 59.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 110.958 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 37.3 tp60 78.71 -64.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.216 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.6 8.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.7 t 34.55 62.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.37 78.85 1.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -82.63 112.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.38 56.1 3.61 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.578 1.831 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.46 -43.09 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.618 ' CH2' ' CA ' ' A' ' 61' ' ' LEU . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.052 ' CG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.263 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 1.0 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -74.63 -37.49 62.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 72.09 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -145.56 35.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.56 169.08 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -67.44 -37.11 82.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -69.17 -43.74 73.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.75 -39.96 95.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 1.0 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 83.9 t80 -67.33 -39.47 85.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.18 88.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.263 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.634 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.052 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -48.61 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.618 ' CA ' ' CH2' ' A' ' 10' ' ' TRP . 3.6 mm? -62.13 -39.74 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.8 -30.5 56.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.74 -49.68 60.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.403 1.064 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.769 ' CD2' ' CZ3' ' A' ' 10' ' ' TRP . 23.2 m-85 -53.56 -66.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.51 31.04 79.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.4 -66.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -133.07 21.01 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 1.178 ' CB ' ' CZ2' ' A' ' 10' ' ' TRP . 23.0 mmt -104.42 -52.15 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 p -163.0 73.47 2.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.963 ' N ' ' N ' ' A' ' 67' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -92.67 66.03 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 1.49 ' CG2' ' CD1' ' A' ' 66' ' ' LEU . 7.3 pt -58.38 -19.66 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.227 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.7 m 54.98 53.77 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 110.404 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.92 43.22 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.628 1.205 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.045 ' CD ' ' OH ' ' A' ' 64' ' ' TYR . 94.7 mtt-85 -98.68 149.42 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.601 0.824 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.67 -32.33 86.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.4 -34.32 65.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.535 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.552 ' CD2' ' CD2' ' A' ' 61' ' ' LEU . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt -70.34 -39.0 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.602 0.825 . . . . 0.0 109.235 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -112.96 26.21 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.34 -27.13 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.219 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -168.05 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -45.6 -45.0 13.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.04 -51.34 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -65.02 -29.91 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -51.47 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.881 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.249 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 1.354 ' CE ' ' CD2' ' A' ' 13' ' ' LEU . 10.5 tmm? -69.52 -41.18 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.552 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 3.1 mm? -69.95 -29.6 66.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.54 -39.28 62.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.3 -29.85 61.55 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 1.045 ' OH ' ' CD ' ' A' ' 7' ' ' ARG . 75.1 t80 -61.76 153.27 28.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 0.705 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.39 -153.32 6.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 1.49 ' CD1' ' CG2' ' A' ' 4' ' ' ILE . 10.9 tp -77.27 -55.86 5.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.963 ' N ' ' N ' ' A' ' 2' ' ' ALA . 74.4 m -91.78 -34.92 14.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.4 tpt -76.53 116.71 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -136.73 85.26 24.71 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 47.91 34.04 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 pt -56.95 108.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m 48.79 47.18 21.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.01 123.34 6.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' NH1' ' CG ' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -66.49 -44.36 55.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -103.84 35.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.596 ' O ' ' CE ' ' A' ' 68' ' ' MET . 16.5 pt-20 -67.34 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.348 ' CE3' ' CB ' ' A' ' 68' ' ' MET . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.659 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.609 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.501 ' N ' ' CE2' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.225 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.944 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp -75.22 -23.37 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.22 -69.58 2.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.83 38.83 27.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.98 -43.98 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -68.17 -30.16 69.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.41 -47.83 53.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.04 -38.98 90.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -66.95 -43.23 83.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.944 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.225 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.609 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -68.83 -50.69 47.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.288 ' CD1' ' CE2' ' A' ' 10' ' ' TRP . 3.5 mm? -61.46 -35.54 77.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.83 -40.83 83.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.64 62.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CB ' ' CZ3' ' A' ' 10' ' ' TRP . 28.7 m-85 -74.12 154.04 39.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.62 -72.54 0.48 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mp -121.04 23.23 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.414 0.714 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.6 m -96.45 -49.3 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 1.348 ' CB ' ' CE3' ' A' ' 10' ' ' TRP . 11.1 tpt -87.03 -29.94 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.991 ' CG1' ' C ' ' A' ' 10' ' ' TRP . 1.8 m -137.16 78.23 40.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.612 ' CG ' ' NH1' ' A' ' 7' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 1.038 ' CB ' ' CA ' ' A' ' 67' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -84.14 82.67 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 1.507 ' CG2' ' CD ' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -56.25 -22.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.206 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 m 55.92 63.42 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.4 -86.2 0.72 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -64.14 161.99 35.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -82.48 66.85 8.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.05 -47.27 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.301 ' CB ' ' CB ' ' A' ' 69' ' ' VAL . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.524 ' N ' ' CB ' ' A' ' 70' ' ' PRO . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.325 ' CD1' ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.352 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.196 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.966 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.7 -39.2 70.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.82 130.01 2.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -86.51 69.1 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 -34.96 24.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 32.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -102.45 -61.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.3 -36.09 81.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -67.64 -42.11 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.32 93.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.966 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.196 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.817 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.352 ' N ' ' SD ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.325 ' CE1' ' CD1' ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -71.06 -48.89 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.132 ' CD1' ' CD2' ' A' ' 10' ' ' TRP . 3.7 mm? -65.82 -33.97 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.395 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.7 tp -72.39 -35.62 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.91 11.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 1.143 ' CB ' ' CZ3' ' A' ' 10' ' ' TRP . 33.0 m-85 -69.68 -36.98 76.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 0.807 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.967 ' C ' ' CZ2' ' A' ' 10' ' ' TRP . . . 121.94 131.63 3.96 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' N ' ' CZ2' ' A' ' 10' ' ' TRP . 4.7 mt -69.64 -30.89 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 1.038 ' CA ' ' CB ' ' A' ' 2' ' ' ALA . 97.3 m -87.22 -28.55 22.3 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.422 ' CB ' ' N ' ' A' ' 2' ' ' ALA . 13.3 tpt -66.66 -46.99 73.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.629 1.205 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.301 ' CB ' ' CB ' ' A' ' 10' ' ' TRP . 11.4 m -134.56 150.2 73.03 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 1.507 ' CD ' ' CG2' ' A' ' 4' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -19.3 65.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.352 1.033 . . . . 0.0 110.211 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -89.01 10.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' ILE . 2.5 t 35.72 55.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.37 -16.59 26.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -159.4 151.91 17.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.811 ' C ' ' CG ' ' A' ' 70' ' ' PRO . 10.0 Cg_endo -70.0 120.84 7.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.453 1.764 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 1.52 ' CG ' ' CD ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -69.29 -17.95 63.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.016 ' CD1' ' O ' ' A' ' 70' ' ' PRO . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.982 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.335 ' SD ' ' CB ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.15 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.631 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.62 -33.69 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.76 62.89 0.71 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.544 1.153 . . . . 0.0 111.074 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -103.68 -0.36 29.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.01 55.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -85.21 -22.66 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -84.52 -25.91 28.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -56.58 -39.32 73.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.59 1.181 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -66.77 -40.64 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.8 87.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.631 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.15 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.335 ' CB ' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.982 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt -67.98 -41.9 81.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' CD1' ' NE1' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -59.98 -47.65 84.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.37 -36.81 85.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.78 -45.65 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -76.04 159.99 30.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.68 -53.52 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.4 -43.75 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 0.723 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -62.13 157.26 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.37 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -69.85 -23.26 63.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.103 ' CG1' ' CD ' ' A' ' 9' ' ' GLU . 57.8 t -66.41 116.55 35.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 1.52 ' CD ' ' CG ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -97.24 77.13 2.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -106.44 55.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' ILE . 3.4 t 36.97 52.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.449 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.88 130.3 5.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -63.97 -46.95 81.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 33.2 Cg_endo -95.65 51.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.408 1.741 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.973 ' CD ' ' CB ' ' A' ' 68' ' ' MET . 11.3 pt-20 -71.38 -28.52 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.574 ' CZ2' ' CD1' ' A' ' 61' ' ' LEU . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.383 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.976 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.995 ' CE2' ' N ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt -76.87 -32.16 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.98 -51.47 50.83 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.46 -17.27 17.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.55 -29.13 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -81.33 -23.51 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -87.66 -23.62 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.45 -34.77 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -71.97 -40.19 68.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.95 75.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.995 ' N ' ' CE2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.976 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.383 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -66.2 -45.73 79.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.574 ' CD1' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -60.18 -42.74 95.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.92 -40.27 97.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.78 -46.69 93.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 1.06 ' CB ' ' CZ3' ' A' ' 10' ' ' TRP . 28.9 m-85 -76.65 161.11 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.43 -78.2 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.4 -67.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.707 ' OG1' ' CD1' ' A' ' 10' ' ' TRP . 26.7 m -136.3 -55.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.973 ' CB ' ' CD ' ' A' ' 9' ' ' GLU . 62.4 mtt -138.58 43.98 2.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.18 91.5 47.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 71.85 -69.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -90.52 9.1 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.5 t 34.61 64.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 45.54 1.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 10.0 ptp85 -64.51 -21.86 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 54.7 Cg_endo -112.57 21.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -72.54 -44.35 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.084 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.451 ' NE1' ' CD1' ' A' ' 61' ' ' LEU . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.768 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.553 ' CG ' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.267 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.671 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 1.191 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -71.64 -41.05 69.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.79 44.99 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -173.0 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.98 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -65.35 -46.15 81.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.57 -36.25 83.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 1.191 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 78.7 t80 -68.46 -39.31 81.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.87 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.666 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.267 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CG ' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' CA ' ' A' ' 14' ' ' ALA . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? -68.16 -44.06 76.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.451 ' CD1' ' NE1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.43 -34.55 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.51 94.68 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.945 ' CD2' ' CD1' ' A' ' 10' ' ' TRP . 77.4 t80 -70.79 -19.16 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 0.715 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -21.69 34.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.66 -40.5 17.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 t -65.43 -24.61 67.23 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.9 mtp -94.0 -46.49 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.09 84.44 48.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.78 99.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.3 mt 67.85 -75.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.239 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -117.88 149.36 40.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.21 57.88 0.45 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -154.89 78.06 4.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.356 0.68 . . . . 0.0 110.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -89.29 53.56 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.551 1.816 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.21 -48.56 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.116 ' CE3' ' CD1' ' A' ' 64' ' ' TYR . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.456 ' CD2' ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.917 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 1.104 ' CE2' ' N ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -74.15 -31.49 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.07 -34.66 76.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -67.77 -32.7 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.08 -35.42 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -69.76 -41.0 75.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.52 -47.15 79.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.83 -41.87 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.456 ' O ' ' CZ ' ' A' ' 27' ' ' PHE . 78.0 t80 -65.81 -39.46 90.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -46.76 89.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.104 ' N ' ' CE2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.456 ' CE1' ' CD2' ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.578 ' O ' ' CZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? -71.78 -35.51 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' CD2' ' CZ3' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -69.17 -32.63 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -33.56 37.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.88 -6.43 82.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.389 1.056 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 1.116 ' CD1' ' CE3' ' A' ' 10' ' ' TRP . 64.8 t80 -50.44 149.11 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.464 0.743 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -155.16 25.42 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.27 -35.37 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 0.8 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.7 t -73.03 -27.73 61.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 40.2 tpp -90.9 -46.27 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.65 84.2 55.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.563 1.823 . . . . 0.0 110.931 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.607 ' O ' ' C ' ' A' ' 4' ' ' ILE . 48.1 mt-30 76.98 -62.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 3' ' ' GLN . 1.1 pp -22.93 96.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.718 ' CG2' ' O ' ' A' ' 67' ' ' THR . 1.3 t 30.98 67.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.47 42.54 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -71.4 157.15 90.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -85.48 67.4 5.69 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.88 -21.07 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.384 ' CZ3' ' CA ' ' A' ' 61' ' ' LEU . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.11 ' CG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.872 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.606 ' CG ' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' CG2' ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp -74.57 -39.76 62.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.78 -61.86 0.57 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.36 27.97 16.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -67.97 -32.57 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.68 -44.83 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.09 -39.8 91.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -68.73 -40.42 79.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.59 92.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.926 ' OG1' ' CZ ' ' A' ' 27' ' ' PHE . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.606 ' CB ' ' CG ' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.872 ' CD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.11 ' CE1' ' CG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt -69.55 -49.75 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.384 ' CA ' ' CZ3' ' A' ' 10' ' ' TRP . 3.6 mm? -59.67 -39.78 85.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.11 -39.55 86.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.07 91.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -77.47 156.81 30.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.7 -62.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.076 . . . . 0.0 111.016 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.62 -35.28 58.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.718 ' O ' ' CG2' ' A' ' 5' ' ' THR . 49.2 m -77.69 -28.12 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.65 ' SD ' ' CE3' ' A' ' 10' ' ' TRP . 13.9 tpt -62.52 -41.56 98.93 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.93 152.95 39.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.067 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 1.283 ' C ' ' CG ' ' A' ' 66' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 1.063 ' N ' ' CG ' ' A' ' 66' ' ' LEU . 4.7 tp-100 -66.65 -17.11 64.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.19 7.43 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.4 t 33.23 66.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.94 95.5 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.328 ' NH1' ' CA ' ' A' ' 67' ' ' THR . 32.9 ptt-85 -55.24 137.13 68.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.319 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -87.81 -10.67 5.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.808 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 1.357 ' OE1' ' CG2' ' A' ' 69' ' ' VAL . 8.9 pt-20 -65.28 -26.31 68.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.593 ' CA ' ' CE ' ' A' ' 68' ' ' MET . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 1.253 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.21 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD2' ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 1.405 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm -72.15 -30.81 65.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -65.11 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.57 -31.02 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.62 160.47 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -143.8 -58.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 -52.23 30.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -64.29 -32.66 74.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 1.405 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 80.5 t80 -70.07 -39.65 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.175 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 1.21 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.588 ' N ' ' CG2' ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.758 ' N ' ' CE ' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 1.253 ' N ' ' SD ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.78 -47.41 81.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.545 ' CA ' ' CH2' ' A' ' 10' ' ' TRP . 3.2 mm? -61.19 -34.06 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -44.17 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.01 95.06 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.821 ' CB ' ' CZ3' ' A' ' 10' ' ' TRP . 25.2 m-85 -81.51 172.71 13.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 0.797 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.2 -58.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 1.305 ' C ' ' NH1' ' A' ' 7' ' ' ARG . 10.9 mp -85.0 -42.43 14.9 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 0.779 . . . . 0.0 109.365 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 1.328 ' CA ' ' NH1' ' A' ' 7' ' ' ARG . 97.8 m -139.51 135.28 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 1.593 ' CE ' ' CA ' ' A' ' 10' ' ' TRP . 44.8 ttm -81.92 -39.69 23.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.357 ' CG2' ' OE1' ' A' ' 9' ' ' GLU . 74.0 t -69.37 118.65 64.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 1.017 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -87.23 67.79 9.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -30.77 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.417 1.073 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -85.28 140.87 30.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.29 -141.51 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 1.331 ' CG ' ' OH ' ' A' ' 64' ' ' TYR . 5.4 tpt85 55.77 79.72 0.32 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.596 0.821 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.35 -17.82 34.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -71.47 -41.3 69.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 1.311 ' NE1' ' CD1' ' A' ' 61' ' ' LEU . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 1.466 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.907 ' CE ' ' CB ' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.938 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.769 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 1.428 ' CD1' ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm -67.42 -50.38 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 50.57 55.09 18.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.5 p . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.631 0.842 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.37 33.12 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.95 168.34 19.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -41.08 84.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.91 -48.23 72.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.93 -43.64 86.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.47 -38.4 90.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.99 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.769 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 1.428 ' CG2' ' CD1' ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.938 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.907 ' CB ' ' CE ' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 1.466 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 1.119 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? -67.99 -42.69 80.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.311 ' CD1' ' NE1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.84 -35.68 79.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -42.55 86.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.384 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.88 90.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 1.331 ' OH ' ' CG ' ' A' ' 7' ' ' ARG . 90.0 t80 -66.86 -37.77 85.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.415 0.715 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' CA ' ' N ' ' A' ' 2' ' ' ALA . . . -168.47 153.02 21.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.14 -38.99 86.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.792 ' O ' ' CZ2' ' A' ' 10' ' ' TRP . 87.9 m -85.3 126.01 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -153.31 34.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.24 83.53 55.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' TYR . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 57' ' ' TYR . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.804 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.259 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.259 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.15 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.18 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.884 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.775 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.31 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD23 ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.31 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' HD1' ' O ' ' A' ' 17' ' ' THR . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.18 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.639 HD22 ' CE ' ' A' ' 60' ' ' MET . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' ' 57' ' ' TYR . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.891 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.443 ' C ' ' HE3' ' A' ' 20' ' ' MET . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.015 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.301 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.639 ' CE ' HD22 ' A' ' 13' ' ' LEU . 10.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.661 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.247 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.098 ' CD2' HG23 ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.098 HG23 ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.247 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.661 ' CD1' HD23 ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.36 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.769 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 57' ' ' TYR . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.402 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.318 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.016 ' CD2' HG23 ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.016 HG23 ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.318 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.07 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.402 ' H ' ' CE ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.36 ' CE1' HD12 ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.122 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.534 ' SD ' ' HB2' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.209 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.598 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.598 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.209 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.534 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.122 ' CE1' HD12 ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.501 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.35 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.148 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.148 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.35 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.661 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.501 ' CE1' HD23 ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.768 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 57' ' ' TYR . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.029 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.306 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CD2' HG23 ' A' ' 47' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.779 HG23 ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.306 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.885 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.029 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 17' ' ' THR . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.688 ' HZ3' ' O ' ' A' ' 60' ' ' MET . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.529 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.261 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.178 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.178 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.529 ' CD1' HD23 ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.688 ' O ' ' HZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.28 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.065 HG23 ' HB3' ' A' ' 57' ' ' TYR . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.964 ' HG3' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.017 HD12 HG22 ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.017 HG22 HD12 ' A' ' 28' ' ' LEU . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.964 ' CB ' ' HG3' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.88 ' HD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.28 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.853 ' HG ' HG21 ' A' ' 17' ' ' THR . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.355 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.268 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 28' ' ' LEU . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.268 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.888 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.068 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 1.355 ' H ' ' CE ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.663 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.979 ' HE2' ' HB1' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.341 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.869 ' HZ ' ' HB ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.641 HD12 ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.869 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 1.641 ' CG2' HD12 ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 1.341 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.979 ' HB1' ' HE2' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' MET . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 1.663 ' CE1' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 1.264 ' SD ' HD13 ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -69.16 -12.62 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.25 5.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m 51.73 76.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.81 -25.91 74.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.424 1.078 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -152.67 153.04 29.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -77.23 81.9 2.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -18.85 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.262 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' TYR . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 57' ' ' TYR . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.804 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.259 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.228 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -62.43 -43.43 98.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -90.38 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -147.01 -55.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.91 163.61 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -68.43 -37.16 80.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.414 1.072 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -66.36 -47.44 73.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.2 -40.39 89.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.228 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 84.1 t80 -66.68 -38.69 87.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.51 79.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.259 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.15 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm -69.29 -50.05 50.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.262 ' CD1' ' CD1' ' A' ' 10' ' ' TRP . 3.9 mm? -63.88 -33.5 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.75 -37.39 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.17 89.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -78.06 -34.78 50.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.48 55.2 10.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.984 ' HB3' ' CD2' ' A' ' 10' ' ' TRP . 2.7 mm? -106.72 -67.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -77.74 -36.36 50.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.1 mmm -74.38 -30.37 61.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -132.38 81.63 59.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 110.958 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 37.3 tp60 78.71 -64.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.216 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.6 8.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.7 t 34.55 62.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.37 78.85 1.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -82.63 112.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.38 56.1 3.61 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.578 1.831 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.46 -43.09 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.683 ' CZ3' ' HA ' ' A' ' 61' ' ' LEU . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.18 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.884 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.775 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.31 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD23 ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.22 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -74.63 -37.49 62.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 72.09 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -145.56 35.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.56 169.08 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -67.44 -37.11 82.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -69.17 -43.74 73.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.75 -39.96 95.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.22 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.9 t80 -67.33 -39.47 85.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.18 88.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.31 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' HD1' ' O ' ' A' ' 17' ' ' THR . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.18 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.38 -48.61 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.683 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 3.6 mm? -62.13 -39.74 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.8 -30.5 56.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.74 -49.68 60.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.403 1.064 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.07 ' HD2' ' CZ3' ' A' ' 10' ' ' TRP . 23.2 m-85 -53.56 -66.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.51 31.04 79.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.4 -66.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -133.07 21.01 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 1.239 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 23.0 mmt -104.42 -52.15 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.6 p -163.0 73.47 2.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.034 ' HB3' ' CA ' ' A' ' 67' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -92.67 66.03 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.631 HG23 ' CD1' ' A' ' 66' ' ' LEU . 7.3 pt -58.38 -19.66 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.227 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.7 m 54.98 53.77 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 110.404 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.92 43.22 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.628 1.205 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.22 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 94.7 mtt-85 -98.68 149.42 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.601 0.824 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.67 -32.33 86.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.4 -34.32 65.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.535 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.639 HD22 ' CE ' ' A' ' 60' ' ' MET . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' ' 57' ' ' TYR . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt -70.34 -39.0 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.602 0.825 . . . . 0.0 109.235 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -112.96 26.21 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.34 -27.13 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.219 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -168.05 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -45.6 -45.0 13.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.04 -51.34 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -65.02 -29.91 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -51.47 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.891 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.443 ' C ' ' HE3' ' A' ' 20' ' ' MET . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.015 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.301 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.639 ' CE ' HD22 ' A' ' 13' ' ' LEU . 10.5 tmm? -69.52 -41.18 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.614 ' CD2' HD23 ' A' ' 13' ' ' LEU . 3.1 mm? -69.95 -29.6 66.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.54 -39.28 62.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.3 -29.85 61.55 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.22 ' OH ' ' HD2' ' A' ' 7' ' ' ARG . 75.1 t80 -61.76 153.27 28.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 0.705 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.39 -153.32 6.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.631 ' CD1' HG23 ' A' ' 4' ' ' ILE . 10.9 tp -77.27 -55.86 5.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.034 ' CA ' ' HB3' ' A' ' 2' ' ' ALA . 74.4 m -91.78 -34.92 14.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 13.4 tpt -76.53 116.71 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -136.73 85.26 24.71 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 47.91 34.04 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 pt -56.95 108.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m 48.79 47.18 21.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.01 123.34 6.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' NH1' ' HG2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -66.49 -44.36 55.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -103.84 35.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.704 ' HG3' ' HA ' ' A' ' 68' ' ' MET . 16.5 pt-20 -67.34 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.695 ' CE3' ' HB3' ' A' ' 68' ' ' MET . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.978 HD13 HG12 ' A' ' 69' ' ' VAL . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.661 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.247 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.098 ' CD2' HG23 ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp -75.22 -23.37 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.22 -69.58 2.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.83 38.83 27.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.98 -43.98 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -68.17 -30.16 69.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.41 -47.83 53.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.04 -38.98 90.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -66.95 -43.23 83.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.098 HG23 ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.247 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.661 ' CD1' HD23 ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -68.83 -50.69 47.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.424 HD13 ' CE3' ' A' ' 10' ' ' TRP . 3.5 mm? -61.46 -35.54 77.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.83 -40.83 83.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.64 62.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.924 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.7 m-85 -74.12 154.04 39.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.62 -72.54 0.48 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mp -121.04 23.23 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.414 0.714 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.6 m -96.45 -49.3 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 1.695 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.1 tpt -87.03 -29.94 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.195 HG13 ' C ' ' A' ' 10' ' ' TRP . 1.8 m -137.16 78.23 40.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.807 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.094 ' HA ' ' O ' ' A' ' 65' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -84.14 82.67 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.544 HG22 ' CD ' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -56.25 -22.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.206 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 m 55.92 63.42 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.4 -86.2 0.72 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -64.14 161.99 35.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -82.48 66.85 8.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.05 -47.27 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.611 ' CZ3' ' HB2' ' A' ' 64' ' ' TYR . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.36 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.769 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 57' ' ' TYR . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.402 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.318 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.016 ' CD2' HG23 ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.7 -39.2 70.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.82 130.01 2.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -86.51 69.1 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 -34.96 24.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 32.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -102.45 -61.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.3 -36.09 81.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -67.64 -42.11 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.32 93.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.016 HG23 ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.318 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.07 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.402 ' H ' ' CE ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.36 ' CE1' HD12 ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -71.06 -48.89 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.133 HD13 ' CD2' ' A' ' 10' ' ' TRP . 3.7 mm? -65.82 -33.97 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.395 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.7 tp -72.39 -35.62 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.91 11.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.611 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 33.0 m-85 -69.68 -36.98 76.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 0.807 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 1.094 ' O ' ' HA ' ' A' ' 2' ' ' ALA . . . 121.94 131.63 3.96 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.904 ' HA ' ' NE1' ' A' ' 10' ' ' TRP . 4.7 mt -69.64 -30.89 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.038 ' CA ' ' CB ' ' A' ' 2' ' ' ALA . 97.3 m -87.22 -28.55 22.3 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.422 ' CB ' ' N ' ' A' ' 2' ' ' ALA . 13.3 tpt -66.66 -46.99 73.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.629 1.205 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.583 ' CB ' ' HB2' ' A' ' 10' ' ' TRP . 11.4 m -134.56 150.2 73.03 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 1.544 ' CD ' HG22 ' A' ' 4' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -19.3 65.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.352 1.033 . . . . 0.0 110.211 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -89.01 10.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' ILE . 2.5 t 35.72 55.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.37 -16.59 26.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -159.4 151.91 17.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.811 ' C ' ' CG ' ' A' ' 70' ' ' PRO . 10.0 Cg_endo -70.0 120.84 7.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.453 1.764 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 1.329 ' N ' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -69.29 -17.95 63.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.036 ' HD1' ' O ' ' A' ' 70' ' ' PRO . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.122 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.534 ' SD ' ' HB2' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.209 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.598 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.62 -33.69 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.76 62.89 0.71 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.544 1.153 . . . . 0.0 111.074 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -103.68 -0.36 29.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.01 55.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -85.21 -22.66 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -84.52 -25.91 28.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -56.58 -39.32 73.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.59 1.181 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -66.77 -40.64 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.8 87.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.598 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.209 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.534 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.122 ' CE1' HD12 ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt -67.98 -41.9 81.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.023 HD22 HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.98 -47.65 84.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.37 -36.81 85.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.78 -45.65 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.522 ' HE2' HD22 ' A' ' 13' ' ' LEU . 22.0 m-85 -76.04 159.99 30.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.68 -53.52 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.4 -43.75 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 0.723 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -62.13 157.26 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.37 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -69.85 -23.26 63.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.208 HG13 ' CD ' ' A' ' 9' ' ' GLU . 57.8 t -66.41 116.55 35.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 1.329 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -97.24 77.13 2.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -106.44 55.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' ILE . 3.4 t 36.97 52.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.449 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.88 130.3 5.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -63.97 -46.95 81.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 33.2 Cg_endo -95.65 51.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.408 1.741 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.973 ' CD ' ' CB ' ' A' ' 68' ' ' MET . 11.3 pt-20 -71.38 -28.52 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.559 ' CZ2' ' CD1' ' A' ' 61' ' ' LEU . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.501 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.35 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.148 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt -76.87 -32.16 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.98 -51.47 50.83 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.46 -17.27 17.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.55 -29.13 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -81.33 -23.51 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -87.66 -23.62 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.45 -34.77 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -71.97 -40.19 68.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.95 75.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.148 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.35 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.661 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.501 ' CE1' HD23 ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -66.2 -45.73 79.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.559 ' CD1' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -60.18 -42.74 95.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.92 -40.27 97.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.78 -46.69 93.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.539 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.9 m-85 -76.65 161.11 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.43 -78.2 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.4 -67.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.707 ' OG1' ' CD1' ' A' ' 10' ' ' TRP . 26.7 m -136.3 -55.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.973 ' CB ' ' CD ' ' A' ' 9' ' ' GLU . 62.4 mtt -138.58 43.98 2.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.18 91.5 47.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 71.85 -69.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -90.52 9.1 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.5 t 34.61 64.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 45.54 1.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 10.0 ptp85 -64.51 -21.86 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 54.7 Cg_endo -112.57 21.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -72.54 -44.35 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.084 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.464 ' NE1' HD12 ' A' ' 61' ' ' LEU . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.059 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 57' ' ' TYR . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.029 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.306 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CD2' HG23 ' A' ' 47' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.368 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -71.64 -41.05 69.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.79 44.99 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -173.0 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.98 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -65.35 -46.15 81.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.57 -36.25 83.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.368 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 78.7 t80 -68.46 -39.31 81.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.87 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.779 HG23 ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.306 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.885 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.029 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 17' ' ' THR . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? -68.16 -44.06 76.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.464 HD12 ' NE1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.43 -34.55 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.51 94.68 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.974 ' CD2' ' HD1' ' A' ' 10' ' ' TRP . 77.4 t80 -70.79 -19.16 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 0.715 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -21.69 34.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.66 -40.5 17.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 t -65.43 -24.61 67.23 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.9 mtp -94.0 -46.49 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.09 84.44 48.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.78 99.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.3 mt 67.85 -75.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.239 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -117.88 149.36 40.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.21 57.88 0.45 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -154.89 78.06 4.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.356 0.68 . . . . 0.0 110.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -89.29 53.56 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.551 1.816 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.21 -48.56 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.368 ' HB2' ' CE1' ' A' ' 64' ' ' TYR . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.529 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.261 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.178 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -74.15 -31.49 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.07 -34.66 76.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -67.77 -32.7 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.08 -35.42 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -69.76 -41.0 75.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.52 -47.15 79.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.83 -41.87 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' O ' ' HZ ' ' A' ' 27' ' ' PHE . 78.0 t80 -65.81 -39.46 90.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -46.76 89.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.178 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.529 ' CD1' HD23 ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.688 ' O ' ' HZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? -71.78 -35.51 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.948 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.17 -32.63 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -33.56 37.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.88 -6.43 82.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.389 1.056 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.368 ' CE1' ' HB2' ' A' ' 10' ' ' TRP . 64.8 t80 -50.44 149.11 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.464 0.743 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -155.16 25.42 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.27 -35.37 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 0.8 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.7 t -73.03 -27.73 61.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 40.2 tpp -90.9 -46.27 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.65 84.2 55.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.563 1.823 . . . . 0.0 110.931 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.607 ' O ' ' C ' ' A' ' 4' ' ' ILE . 48.1 mt-30 76.98 -62.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 3' ' ' GLN . 1.1 pp -22.93 96.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.172 HG21 ' O ' ' A' ' 67' ' ' THR . 1.3 t 30.98 67.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.47 42.54 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -71.4 157.15 90.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -85.48 67.4 5.69 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.88 -21.07 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.476 ' CZ3' ' HA ' ' A' ' 61' ' ' LEU . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.28 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.065 HG23 ' HB3' ' A' ' 57' ' ' TYR . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.964 ' HG3' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.017 HD12 HG22 ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp -74.57 -39.76 62.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.78 -61.86 0.57 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.36 27.97 16.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -67.97 -32.57 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.68 -44.83 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.09 -39.8 91.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -68.73 -40.42 79.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.59 92.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.017 HG22 HD12 ' A' ' 28' ' ' LEU . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.964 ' CB ' ' HG3' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.88 ' HD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.28 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.853 ' HG ' HG21 ' A' ' 17' ' ' THR . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt -69.55 -49.75 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.476 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 3.6 mm? -59.67 -39.78 85.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.11 -39.55 86.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.07 91.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -77.47 156.81 30.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.7 -62.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.076 . . . . 0.0 111.016 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.62 -35.28 58.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.172 ' O ' HG21 ' A' ' 5' ' ' THR . 49.2 m -77.69 -28.12 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.65 ' SD ' ' CE3' ' A' ' 10' ' ' TRP . 13.9 tpt -62.52 -41.56 98.93 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.93 152.95 39.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.067 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.296 ' C ' ' HG ' ' A' ' 66' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 1.429 ' N ' ' HG ' ' A' ' 66' ' ' LEU . 4.7 tp-100 -66.65 -17.11 64.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.19 7.43 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 65' ' ' GLY . 1.4 t 33.23 66.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.94 95.5 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.328 ' NH1' ' CA ' ' A' ' 67' ' ' THR . 32.9 ptt-85 -55.24 137.13 68.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.319 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -87.81 -10.67 5.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.808 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 1.366 ' CD ' HG23 ' A' ' 69' ' ' VAL . 8.9 pt-20 -65.28 -26.31 68.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.707 ' CH2' ' HA ' ' A' ' 61' ' ' LEU . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.355 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.268 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 1.405 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm -72.15 -30.81 65.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -65.11 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.57 -31.02 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.62 160.47 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -143.8 -58.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 -52.23 30.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -64.29 -32.66 74.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 1.405 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 80.5 t80 -70.07 -39.65 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.175 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 28' ' ' LEU . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.268 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.888 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.068 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 1.355 ' H ' ' CE ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.78 -47.41 81.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.707 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 3.2 mm? -61.19 -34.06 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -67.49 -44.17 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.01 95.06 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.27 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 25.2 m-85 -81.51 172.71 13.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 0.797 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' A' ' 5' ' ' THR . . . -173.2 -58.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.429 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 10.9 mp -85.0 -42.43 14.9 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 0.779 . . . . 0.0 109.365 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.328 ' CA ' ' NH1' ' A' ' 7' ' ' ARG . 97.8 m -139.51 135.28 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 1.612 ' HE3' ' CA ' ' A' ' 10' ' ' TRP . 44.8 ttm -81.92 -39.69 23.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.366 HG23 ' CD ' ' A' ' 9' ' ' GLU . 74.0 t -69.37 118.65 64.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.017 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -87.23 67.79 9.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -30.77 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.417 1.073 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -85.28 140.87 30.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.29 -141.51 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 1.313 ' CG ' ' OH ' ' A' ' 64' ' ' TYR . 5.4 tpt85 55.77 79.72 0.32 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.596 0.821 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.35 -17.82 34.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -71.47 -41.3 69.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 1.337 ' CD1' HD13 ' A' ' 61' ' ' LEU . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.663 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.979 ' HE2' ' HB1' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.341 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.869 ' HZ ' ' HB ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.641 HD12 ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm -67.42 -50.38 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 50.57 55.09 18.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.5 p . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.631 0.842 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.37 33.12 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.95 168.34 19.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -41.08 84.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.91 -48.23 72.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.93 -43.64 86.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.47 -38.4 90.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.99 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.869 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 1.641 ' CG2' HD12 ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 1.341 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.979 ' HB1' ' HE2' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' MET . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 1.663 ' CE1' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 1.264 ' SD ' HD13 ' A' ' 13' ' ' LEU . 1.4 tmt? -67.99 -42.69 80.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.337 HD13 ' CD1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.84 -35.68 79.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -42.55 86.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.384 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.88 90.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 1.313 ' OH ' ' CG ' ' A' ' 7' ' ' ARG . 90.0 t80 -66.86 -37.77 85.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.415 0.715 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' CA ' ' N ' ' A' ' 2' ' ' ALA . . . -168.47 153.02 21.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.14 -38.99 86.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.856 ' O ' ' HZ2' ' A' ' 10' ' ' TRP . 87.9 m -85.3 126.01 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -153.31 34.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.24 83.53 55.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' TYR . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 57' ' ' TYR . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.804 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.259 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.259 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.15 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.18 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.884 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.775 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.31 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD23 ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.31 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' HD1' ' O ' ' A' ' 17' ' ' THR . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.18 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.639 HD22 ' CE ' ' A' ' 60' ' ' MET . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' ' 57' ' ' TYR . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.891 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.443 ' C ' ' HE3' ' A' ' 20' ' ' MET . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.015 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.301 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.639 ' CE ' HD22 ' A' ' 13' ' ' LEU . 10.5 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.661 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.247 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.098 ' CD2' HG23 ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.098 HG23 ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.247 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.661 ' CD1' HD23 ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.36 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.769 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 57' ' ' TYR . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.402 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.318 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.016 ' CD2' HG23 ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.016 HG23 ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.318 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.07 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.402 ' H ' ' CE ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.36 ' CE1' HD12 ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.122 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.534 ' SD ' ' HB2' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.209 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.598 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.598 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.209 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.534 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.122 ' CE1' HD12 ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.501 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.35 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.148 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.148 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.35 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.661 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.501 ' CE1' HD23 ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.768 ' CD1' ' SD ' ' A' ' 60' ' ' MET . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 57' ' ' TYR . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.029 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.306 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CD2' HG23 ' A' ' 47' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.779 HG23 ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.306 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.885 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.029 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 17' ' ' THR . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.688 ' HZ3' ' O ' ' A' ' 60' ' ' MET . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.529 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.261 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.178 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.178 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.529 ' CD1' HD23 ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.688 ' O ' ' HZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.28 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.065 HG23 ' HB3' ' A' ' 57' ' ' TYR . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.964 ' HG3' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.017 HD12 HG22 ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.017 HG22 HD12 ' A' ' 28' ' ' LEU . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.964 ' CB ' ' HG3' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.88 ' HD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.28 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.853 ' HG ' HG21 ' A' ' 17' ' ' THR . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.355 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.268 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 28' ' ' LEU . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.268 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.888 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.068 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 1.355 ' H ' ' CE ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.663 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.979 ' HE2' ' HB1' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.341 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.869 ' HZ ' ' HB ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.641 HD12 ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.869 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 1.641 ' CG2' HD12 ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 1.341 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.979 ' HB1' ' HE2' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' MET . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 1.663 ' CE1' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 1.264 ' SD ' HD13 ' A' ' 13' ' ' LEU . 1.4 tmt? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -69.16 -12.62 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.25 5.5 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 m 51.73 76.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.81 -25.91 74.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.424 1.078 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -152.67 153.04 29.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -77.23 81.9 2.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.79 -18.85 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.262 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 31.2 t90 -70.67 -41.18 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -73.23 -37.08 51.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.79 -35.92 82.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.446 ' CD1' ' CD1' ' A' ' 57' ' ' TYR . 60.4 tp -70.81 -37.95 73.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HA ' ' HE2' ' A' ' 57' ' ' TYR . . . -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.62 -41.76 83.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.45 92.01 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 HG23 ' HB3' ' A' ' 57' ' ' TYR . 98.1 m -72.26 -37.5 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.87 85.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -63.04 -48.43 78.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.804 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.5 ttp -59.59 -39.82 85.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.83 -53.74 42.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.8 -33.56 73.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.337 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.19 -40.76 96.98 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.259 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 44.4 m -67.46 -42.99 82.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.754 . . . . 0.0 110.426 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.28 -45.54 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -62.0 -39.99 94.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.922 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 92.4 t80 -65.47 -35.23 80.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.78 -37.28 79.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -63.24 -40.77 90.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -67.13 -41.47 86.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.228 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -64.92 -33.5 87.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -62.43 -43.43 98.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 0.816 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -90.38 0.12 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -147.01 -55.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.91 163.61 37.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -68.43 -37.16 80.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.414 1.072 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -66.36 -47.44 73.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -60.2 -40.39 89.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.228 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 84.1 t80 -66.68 -38.69 87.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.4 -48.51 79.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.242 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.49 -40.7 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.922 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 71.9 m -64.1 -30.2 71.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -86.42 -16.47 37.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.5 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -104.65 13.84 30.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.4 -49.19 91.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.259 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.6 Cg_endo -74.95 -23.71 13.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.15 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -71.28 -40.15 71.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.208 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.7 mt -73.95 -39.07 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.55 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -67.97 -39.71 83.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.4 m -64.18 -42.29 96.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.8 mmm -65.99 -43.83 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.446 ' CD1' ' CD1' ' A' ' 13' ' ' LEU . 84.5 t80 -66.06 -37.28 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.79 -41.31 87.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -67.44 -33.57 75.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.0 ttm -69.29 -50.05 50.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.421 1.076 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.262 ' CD1' ' CD1' ' A' ' 10' ' ' TRP . 3.9 mm? -63.88 -33.5 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.75 -37.39 70.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.21 -47.17 89.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -78.06 -34.78 50.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 0.786 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.48 55.2 10.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.984 ' HB3' ' CD2' ' A' ' 10' ' ' TRP . 2.7 mm? -106.72 -67.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -77.74 -36.36 50.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.1 mmm -74.38 -30.37 61.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -132.38 81.63 59.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.491 1.784 . . . . 0.0 110.958 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 37.3 tp60 78.71 -64.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.216 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.6 8.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.379 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.7 t 34.55 62.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.37 78.85 1.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -82.63 112.72 39.47 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.38 56.1 3.61 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.578 1.831 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -80.46 -43.09 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.353 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.683 ' CZ3' ' HA ' ' A' ' 61' ' ' LEU . 75.7 t-105 -70.57 -29.99 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.4 mm -74.11 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -65.84 -35.74 81.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 107.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.18 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 56.4 tp -68.41 -40.91 81.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.54 -42.23 99.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.3 mt -67.08 -36.19 81.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.345 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.95 -41.75 95.17 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.884 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.3 m -68.74 -37.26 79.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.73 81.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.55 -45.19 95.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.775 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 58.2 ttp -61.12 -41.56 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.66 95.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.64 -37.39 87.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.48 96.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.31 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 42.5 m -67.32 -42.27 83.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 0.821 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.81 -43.4 96.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.26 -37.34 86.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.746 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.6 t80 -69.34 -34.1 74.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD23 ' CG2' ' A' ' 47' ' ' THR . 23.0 mt -71.98 -37.96 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.98 -43.48 96.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -69.63 -37.18 76.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.22 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -63.68 -39.68 97.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -74.63 -37.49 62.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 72.09 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -145.56 35.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.56 169.08 16.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -67.44 -37.11 82.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -69.17 -43.74 73.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.75 -39.96 95.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.22 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 83.9 t80 -67.33 -39.47 85.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.18 88.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.64 -41.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 109.354 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.746 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.3 m -65.43 -26.53 68.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 93.2 m -87.43 -17.73 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.409 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.14 9.85 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.48 -49.28 90.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.31 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.06 -22.72 14.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.8 -40.46 69.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.05 -37.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.55 97.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' HD1' ' O ' ' A' ' 17' ' ' THR . 81.0 t80 -67.33 -40.9 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.6 m -62.87 -44.31 96.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.421 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.02 -46.26 85.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.18 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 83.0 t80 -61.87 -39.04 90.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.32 -39.06 89.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -67.86 -28.67 67.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.38 -48.61 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.683 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 3.6 mm? -62.13 -39.74 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.366 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 tt -76.8 -30.5 56.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.74 -49.68 60.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.403 1.064 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.07 ' HD2' ' CZ3' ' A' ' 10' ' ' TRP . 23.2 m-85 -53.56 -66.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.727 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.51 31.04 79.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.145 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mp -92.4 -66.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -133.07 21.01 4.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 1.239 ' HB3' ' CZ2' ' A' ' 10' ' ' TRP . 23.0 mmt -104.42 -52.15 2.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 69' ' ' VAL . 2.6 p -163.0 73.47 2.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.034 ' HB3' ' CA ' ' A' ' 67' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.585 HE21 ' HB3' ' A' ' 68' ' ' MET . 85.1 mt-30 -92.67 66.03 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.631 HG23 ' CD1' ' A' ' 66' ' ' LEU . 7.3 pt -58.38 -19.66 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.227 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.7 m 54.98 53.77 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.393 1.058 . . . . 0.0 110.404 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.92 43.22 0.19 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.628 1.205 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.22 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 94.7 mtt-85 -98.68 149.42 35.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.601 0.824 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.67 -32.33 86.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.4 -34.32 65.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.535 ' CD1' ' CD1' ' A' ' 61' ' ' LEU . 46.2 t90 -70.96 -36.62 72.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 107.979 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mm -70.15 -40.11 77.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -65.83 -37.03 85.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 108.005 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.639 HD22 ' CE ' ' A' ' 60' ' ' MET . 59.8 tp -67.4 -41.19 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.22 99.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.09 -40.79 95.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.11 -40.19 98.62 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB3' ' A' ' 57' ' ' TYR . 43.9 m -70.28 -34.13 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 0.72 . . . . 0.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.68 71.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.34 -42.42 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.359 ' SD ' ' N ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.19 -38.23 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -44.66 89.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.55 -39.33 93.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.13 -36.16 91.49 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.349 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 63.2 m -69.02 -43.28 75.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.48 -45.45 90.71 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.603 1.19 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.9 -42.28 93.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.833 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 90.7 t80 -66.7 -32.32 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -68.57 -41.95 78.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.4 t -62.44 -40.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.96 -42.91 89.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.78 -38.93 97.3 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.0 ttt -70.34 -39.0 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.0 -42.4 94.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.602 0.825 . . . . 0.0 109.235 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -112.96 26.21 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.392 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.34 -27.13 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.219 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -168.05 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -45.6 -45.0 13.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.04 -51.34 68.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -65.02 -29.91 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -51.47 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -38.94 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.833 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 91.9 m -64.15 -29.84 70.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.708 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 96.7 m -86.94 -16.79 34.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.94 13.28 33.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -60.88 -49.26 90.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.349 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.93 -23.88 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.553 1.817 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.891 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -70.93 -40.19 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.443 ' C ' ' HE3' ' A' ' 20' ' ' MET . 6.0 mm -73.72 -39.6 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.015 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.68 -40.72 97.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.359 ' N ' ' SD ' ' A' ' 20' ' ' MET . 80.8 t80 -68.18 -39.22 82.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.5 m -64.01 -43.58 95.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -64.88 -45.3 86.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.301 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 86.6 t80 -63.99 -39.46 94.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.19 -43.02 96.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -64.26 -35.44 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.639 ' CE ' HD22 ' A' ' 13' ' ' LEU . 10.5 tmm? -69.52 -41.18 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.614 ' CD2' HD23 ' A' ' 13' ' ' LEU . 3.1 mm? -69.95 -29.6 66.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.54 -39.28 62.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.3 -29.85 61.55 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.22 ' OH ' ' HD2' ' A' ' 7' ' ' ARG . 75.1 t80 -61.76 153.27 28.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 0.705 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.39 -153.32 6.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.631 ' CD1' HG23 ' A' ' 4' ' ' ILE . 10.9 tp -77.27 -55.86 5.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.034 ' CA ' ' HB3' ' A' ' 2' ' ' ALA . 74.4 m -91.78 -34.92 14.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.585 ' HB3' HE21 ' A' ' 3' ' ' GLN . 13.4 tpt -76.53 116.71 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -136.73 85.26 24.71 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.43 1.081 . . . . 0.0 109.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.422 HE22 ' HE3' ' A' ' 68' ' ' MET . 35.6 mt-30 47.91 34.04 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 pt -56.95 108.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.391 1.057 . . . . 0.0 109.317 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m 48.79 47.18 21.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.01 123.34 6.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' NH1' ' HG2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -66.49 -44.36 55.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -103.84 35.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.704 ' HG3' ' HA ' ' A' ' 68' ' ' MET . 16.5 pt-20 -67.34 -30.81 70.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.695 ' CE3' ' HB3' ' A' ' 68' ' ' MET . 71.5 t-105 -71.44 -34.85 70.64 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.978 HD13 HG12 ' A' ' 69' ' ' VAL . 46.2 mm -71.08 -37.8 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -66.22 -36.65 83.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.661 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -67.42 -42.39 83.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.666 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.02 -42.02 97.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.98 -37.68 86.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.39 97.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 57' ' ' TYR . 30.5 m -68.14 -37.08 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.89 80.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.221 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.63 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 47.1 ttm -63.24 -39.98 96.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.07 -49.34 76.12 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.11 -34.82 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.59 -39.1 95.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.57 1.169 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.247 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 87.8 m -69.45 -41.55 76.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.357 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.36 -46.2 87.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.7 -43.73 97.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.384 1.053 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.098 ' CD2' HG23 ' A' ' 47' ' ' THR . 89.9 t80 -64.82 -33.09 75.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -67.8 -39.21 84.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.19 -39.95 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -63.88 -44.23 93.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.79 -41.86 99.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 80.8 mtp -75.22 -23.37 57.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.22 -69.58 2.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 52.83 38.83 27.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.365 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.98 -43.98 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -68.17 -30.16 69.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.41 -47.83 53.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.04 -38.98 90.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -66.95 -43.23 83.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mm -62.39 -40.96 89.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.66 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 99.0 m -67.04 -25.41 66.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.441 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.098 HG23 ' CD2' ' A' ' 27' ' ' PHE . 87.1 m -88.2 -14.0 39.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.411 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mp -102.99 1.34 33.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -60.98 -49.15 90.28 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.247 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.5 Cg_endo -74.92 -20.64 16.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.74 -44.23 64.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.4 1.062 . . . . 0.0 109.341 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.11 -36.05 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.73 95.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.4 t80 -67.04 -41.95 85.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -62.16 -41.35 98.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 ttm -65.22 -47.91 75.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.661 ' CD1' HD23 ' A' ' 13' ' ' LEU . 86.3 t80 -63.87 -33.06 74.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.13 -42.57 79.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 p -64.82 -34.72 79.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -68.83 -50.69 47.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.424 HD13 ' CE3' ' A' ' 10' ' ' TRP . 3.5 mm? -61.46 -35.54 77.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.83 -40.83 83.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.64 62.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.924 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.7 m-85 -74.12 154.04 39.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.62 -72.54 0.48 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mp -121.04 23.23 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.414 0.714 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.6 m -96.45 -49.3 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.44 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 1.695 ' HB3' ' CE3' ' A' ' 10' ' ' TRP . 11.1 tpt -87.03 -29.94 21.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.195 HG13 ' C ' ' A' ' 10' ' ' TRP . 1.8 m -137.16 78.23 40.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.807 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.421 1.748 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.094 ' HA ' ' O ' ' A' ' 65' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -84.14 82.67 8.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.544 HG22 ' CD ' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -56.25 -22.27 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.206 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 m 55.92 63.42 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.4 -86.2 0.72 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -64.14 161.99 35.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -82.48 66.85 8.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.05 -47.27 11.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.611 ' CZ3' ' HB2' ' A' ' 64' ' ' TYR . 32.4 t-105 -69.04 -29.2 67.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.047 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 43.3 mm -73.87 -44.07 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -65.05 -34.08 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.36 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.9 tp -68.2 -42.94 79.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.769 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -61.59 -42.5 98.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.0 -40.8 95.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.76 99.43 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 57' ' ' TYR . 45.0 m -69.29 -34.25 74.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.78 76.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.13 -41.83 99.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.402 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -50.74 62.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.09 -34.11 76.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -39.68 95.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.318 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 67.7 m -69.3 -40.9 77.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.93 -44.29 93.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.6 -40.84 97.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.016 ' CD2' HG23 ' A' ' 47' ' ' THR . 90.3 t80 -68.73 -29.3 67.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.57 -43.5 59.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.225 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.5 t -65.45 -45.19 93.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -66.42 -36.79 83.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.85 96.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.7 -39.2 70.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 0.797 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.82 130.01 2.13 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.304 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -86.51 69.1 10.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.09 -34.96 24.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 32.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -102.45 -61.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.3 -36.09 81.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -67.64 -42.11 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -44.32 93.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -62.22 -41.26 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.809 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 74.9 m -65.8 -26.55 67.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.016 HG23 ' CD2' ' A' ' 27' ' ' PHE . 89.8 m -87.36 -15.56 37.55 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.523 1.139 . . . . 0.0 110.371 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.3 mp -103.62 5.74 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.1 t -61.7 -49.3 87.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.318 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.1 Cg_endo -75.02 -22.61 14.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.601 1.843 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.909 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -71.22 -42.54 68.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mm -73.02 -37.33 53.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.07 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.2 -41.41 99.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.402 ' H ' ' CE ' ' A' ' 20' ' ' MET . 78.8 t80 -66.89 -44.48 80.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -62.03 -40.25 95.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.6 ttm -64.96 -48.04 75.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.36 ' CE1' HD12 ' A' ' 13' ' ' LEU . 79.8 t80 -64.51 -33.41 75.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.54 -43.86 84.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.389 1.056 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 p -68.11 -30.1 69.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 49.3 ttm -71.06 -48.89 50.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.133 HD13 ' CD2' ' A' ' 10' ' ' TRP . 3.7 mm? -65.82 -33.97 77.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.395 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.7 tp -72.39 -35.62 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.91 11.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.611 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 33.0 m-85 -69.68 -36.98 76.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 0.807 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 1.094 ' O ' ' HA ' ' A' ' 2' ' ' ALA . . . 121.94 131.63 3.96 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.468 1.105 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.904 ' HA ' ' NE1' ' A' ' 10' ' ' TRP . 4.7 mt -69.64 -30.89 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.397 0.704 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.038 ' CA ' ' CB ' ' A' ' 2' ' ' ALA . 97.3 m -87.22 -28.55 22.3 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.422 ' CB ' ' N ' ' A' ' 2' ' ' ALA . 13.3 tpt -66.66 -46.99 73.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.629 1.205 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.583 ' CB ' ' HB2' ' A' ' 10' ' ' TRP . 11.4 m -134.56 150.2 73.03 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 1.544 ' CD ' HG22 ' A' ' 4' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.556 1.819 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -19.3 65.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.352 1.033 . . . . 0.0 110.211 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -89.01 10.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' ILE . 2.5 t 35.72 55.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.422 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.37 -16.59 26.79 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -159.4 151.91 17.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.253 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.811 ' C ' ' CG ' ' A' ' 70' ' ' PRO . 10.0 Cg_endo -70.0 120.84 7.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.453 1.764 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 1.329 ' N ' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -69.29 -17.95 63.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.036 ' HD1' ' O ' ' A' ' 70' ' ' PRO . 28.1 t90 -71.7 -43.2 66.37 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mm -74.63 -32.22 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -68.95 -36.04 77.47 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.122 HD12 ' CE1' ' A' ' 57' ' ' TYR . 59.2 tp -70.53 -41.4 72.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -66.0 -36.12 82.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 56.0 tp -68.1 -44.29 76.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.89 -35.5 91.98 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.726 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 98.9 m -70.38 -40.48 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 0.712 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.21 87.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.383 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.6 -44.86 95.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.534 ' SD ' ' HB2' ' A' ' 54' ' ' PHE . 2.1 tmt? -63.53 -37.87 88.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.2 -46.72 86.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.72 -37.73 88.6 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.513 0.772 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.42 -35.71 90.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.209 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 74.2 m -70.97 -40.31 72.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 0.788 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.43 -43.67 89.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.387 1.054 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -63.92 -40.89 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.598 ' CE2' ' CA ' ' A' ' 47' ' ' THR . 89.7 t80 -68.36 -32.63 72.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.115 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.99 -43.52 71.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.392 1.057 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.92 -36.89 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -44.2 85.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.86 -37.99 93.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.62 -33.69 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.76 62.89 0.71 Allowed Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.544 1.153 . . . . 0.0 111.074 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -103.68 -0.36 29.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.01 55.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -85.21 -22.66 28.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.303 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -84.52 -25.91 28.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -56.58 -39.32 73.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.59 1.181 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -66.77 -40.64 88.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.8 87.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.65 -44.92 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.909 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 2.1 p -67.83 -19.0 65.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.358 1.036 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.598 ' CA ' ' CE2' ' A' ' 27' ' ' PHE . 99.8 m -90.45 -19.85 23.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.394 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.33 -2.08 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.66 -49.37 70.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.176 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.209 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.63 17.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.95 -43.22 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.7 mt -72.21 -37.73 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.026 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -63.55 -42.63 98.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.534 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 80.2 t80 -67.58 -38.12 83.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -63.99 -43.73 94.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.085 . . . . 0.0 110.376 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.2 mtt -65.71 -44.59 85.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.122 ' CE1' HD12 ' A' ' 13' ' ' LEU . 82.4 t80 -64.11 -37.8 88.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tt -67.42 -41.5 84.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.7 t -62.29 -40.59 96.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.4 mmt -67.98 -41.9 81.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.023 HD22 HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.98 -47.65 84.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.37 -36.81 85.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.78 -45.65 93.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.522 ' HE2' HD22 ' A' ' 13' ' ' LEU . 22.0 m-85 -76.04 159.99 30.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.68 -53.52 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.072 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -84.4 -43.75 14.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 0.723 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.1 t -62.13 157.26 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.37 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -69.85 -23.26 63.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.208 HG13 ' CD ' ' A' ' 9' ' ' GLU . 57.8 t -66.41 116.55 35.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 1.329 ' CG ' ' N ' ' A' ' 9' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -97.24 77.13 2.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -106.44 55.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' ILE . 3.4 t 36.97 52.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.449 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.88 130.3 5.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -63.97 -46.95 81.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 33.2 Cg_endo -95.65 51.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.408 1.741 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.973 ' CD ' ' CB ' ' A' ' 68' ' ' MET . 11.3 pt-20 -71.38 -28.52 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.559 ' CZ2' ' CD1' ' A' ' 61' ' ' LEU . 71.0 t-105 -68.73 -36.06 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.45 -39.37 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -64.16 -34.15 77.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 108.078 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.501 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.2 tt -68.97 -43.57 74.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.767 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.48 -43.78 96.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 6.6 mp -66.4 -35.74 81.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.54 96.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.784 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 34.4 m -68.94 -37.52 78.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.38 84.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.99 -45.07 95.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.325 ' SD ' ' CB ' ' A' ' 53' ' ' ALA . 58.4 ttp -61.16 -41.02 96.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.52 -45.75 95.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.45 -36.68 84.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.05 -38.74 94.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.35 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 59.6 m -68.43 -39.95 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.739 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.97 -44.12 85.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -61.99 -41.83 98.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.148 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 91.2 t80 -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.74 -42.48 73.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 t -61.99 -41.33 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -68.62 -38.18 80.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.09 -40.24 98.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 20.0 mmt -76.87 -32.16 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.98 -51.47 50.83 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.345 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.848 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.46 -17.27 17.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.55 -29.13 52.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -81.33 -23.51 37.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -87.66 -23.62 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -57.45 -34.77 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -71.97 -40.19 68.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -33.95 75.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mt -67.47 -45.89 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.742 ' C ' ' CE2' ' A' ' 27' ' ' PHE . 1.4 p -70.0 -15.8 63.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.148 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 47.3 m -91.95 -21.12 20.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -102.19 -2.52 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.95 -49.62 67.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.35 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -74.97 -19.96 17.4 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.99 -43.38 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mm -72.37 -37.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.325 ' CB ' ' SD ' ' A' ' 20' ' ' MET . . . -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.661 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.1 t80 -66.99 -38.76 86.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -63.58 -43.84 95.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.75 -44.26 86.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.501 ' CE1' HD23 ' A' ' 13' ' ' LEU . 84.3 t80 -64.48 -36.89 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.44 -41.91 83.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -62.88 -40.5 97.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.0 mmt -66.2 -45.73 79.74 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.559 ' CD1' ' CZ2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -60.18 -42.74 95.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 tp -62.92 -40.27 97.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.78 -46.69 93.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.539 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.9 m-85 -76.65 161.11 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.43 -78.2 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.449 1.093 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mp -86.4 -67.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.707 ' OG1' ' CD1' ' A' ' 10' ' ' TRP . 26.7 m -136.3 -55.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.973 ' CB ' ' CD ' ' A' ' 9' ' ' GLU . 62.4 mtt -138.58 43.98 2.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.451 1.094 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.18 91.5 47.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.108 0 O-C-N 124.58 1.832 . . . . 0.0 110.995 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 71.85 -69.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -90.52 9.1 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.402 1.064 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' ILE . 1.5 t 34.61 64.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.6 45.54 1.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 10.0 ptp85 -64.51 -21.86 0.78 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 54.7 Cg_endo -112.57 21.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -72.54 -44.35 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.084 . . . . 0.0 110.338 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.464 ' NE1' HD12 ' A' ' 61' ' ' LEU . 83.4 t90 -68.5 -31.85 71.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.24 -40.95 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -66.13 -35.66 81.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 108.027 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.059 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -68.44 -40.84 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.716 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -62.37 -42.43 99.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.83 -36.53 82.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.74 -41.33 95.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.063 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 57' ' ' TYR . 42.3 m -69.12 -37.16 78.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.06 83.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 tp -63.11 -43.38 98.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.029 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 12.2 tmm? -64.92 -37.1 86.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.77 -51.4 51.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.62 -35.65 81.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.26 92.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.306 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 62.8 m -70.27 -39.88 74.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.33 -43.22 86.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.86 -42.15 99.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CD2' HG23 ' A' ' 47' ' ' THR . 91.7 t80 -70.15 -31.39 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -68.97 -40.63 78.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.37 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -65.27 -40.56 88.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -66.76 -39.32 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.368 ' HA2' ' OH ' ' A' ' 43' ' ' TYR . . . -67.35 -36.44 89.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 56.9 ttp -71.64 -41.05 69.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 0.805 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.79 44.99 1.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.272 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -173.0 -46.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.98 90.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -65.35 -46.15 81.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -65.57 -36.25 83.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.368 ' OH ' ' HA2' ' A' ' 31' ' ' GLY . 78.7 t80 -68.46 -39.31 81.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.87 79.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.54 -48.53 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.671 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 p -65.3 -25.45 67.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.779 HG23 ' CD2' ' A' ' 27' ' ' PHE . 91.1 m -86.36 -16.02 38.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.8 mt -107.07 9.39 30.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.568 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -48.94 90.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.306 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.4 Cg_endo -75.04 -22.65 14.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.885 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -72.36 -40.47 67.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.232 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.79 -37.82 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.029 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -64.1 -42.4 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' HD1' ' O ' ' A' ' 17' ' ' THR . 79.7 t80 -67.08 -40.98 87.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 m -64.66 -39.73 94.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.454 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -66.39 -43.91 84.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.732 ' HB3' HG23 ' A' ' 17' ' ' THR . 83.5 t80 -68.09 -35.42 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.08 -44.52 84.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 -34.27 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.09 . . . . 0.0 109.963 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.768 ' SD ' ' CD1' ' A' ' 13' ' ' LEU . 1.4 tmt? -68.16 -44.06 76.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.464 HD12 ' NE1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.43 -34.55 77.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.51 -47.26 73.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.51 94.68 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.974 ' CD2' ' HD1' ' A' ' 10' ' ' TRP . 77.4 t80 -70.79 -19.16 62.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 0.715 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -21.69 34.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -84.66 -40.5 17.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 t -65.43 -24.61 67.23 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.471 1.107 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.9 mtp -94.0 -46.49 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.09 84.44 48.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.78 99.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.25 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.3 mt 67.85 -75.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.239 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -117.88 149.36 40.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.21 57.88 0.45 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -154.89 78.06 4.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.356 0.68 . . . . 0.0 110.364 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -89.29 53.56 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.551 1.816 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.21 -48.56 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.368 ' HB2' ' CE1' ' A' ' 64' ' ' TYR . 68.2 t-105 -67.96 -29.5 68.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.058 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.6 mm -71.87 -41.53 69.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -65.8 -34.32 77.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.529 HD23 ' CD1' ' A' ' 57' ' ' TYR . 1.1 tt -68.7 -43.18 76.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' C ' ' OH ' ' A' ' 57' ' ' TYR . . . -60.7 -42.75 97.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' ' OH ' ' A' ' 57' ' ' TYR . 18.7 mt -65.74 -38.8 90.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.7 -41.02 99.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.77 ' N ' ' CZ ' ' A' ' 57' ' ' TYR . 37.5 m -68.73 -36.89 78.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 0.801 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.64 -44.4 86.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.4 tt -61.93 -48.64 79.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.276 ' SD ' ' O ' ' A' ' 50' ' ' PRO . 12.7 tmm? -58.63 -40.44 83.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.99 94.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.89 -36.15 82.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.14 94.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.261 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 51.3 m -68.33 -42.47 79.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.11 -45.08 93.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.237 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.0 -40.96 97.45 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.178 ' CD2' ' HA ' ' A' ' 47' ' ' THR . 90.2 t80 -66.83 -30.79 71.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.2 tt -72.63 -44.6 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -63.31 -41.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -67.49 -40.53 85.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -41.87 99.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -74.15 -31.49 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.07 -34.66 76.6 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -67.77 -32.7 73.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.08 -35.42 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -69.76 -41.0 75.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.52 -47.15 79.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.83 -41.87 92.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' O ' ' HZ ' ' A' ' 27' ' ' PHE . 78.0 t80 -65.81 -39.46 90.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -46.76 89.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.08 -37.31 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.834 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 96.4 m -71.33 -18.65 62.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.617 1.198 . . . . 0.0 110.431 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.178 ' HA ' ' CD2' ' A' ' 27' ' ' PHE . 99.3 m -94.66 -16.96 22.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 51' ' ' ALA . 3.5 mm? -101.36 -6.86 23.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER -64.41 -50.08 68.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.276 ' O ' ' SD ' ' A' ' 20' ' ' MET . 18.2 Cg_endo -75.02 -20.15 17.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.574 1.829 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 48' ' ' LEU . . . -73.74 -43.03 60.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.2 mm -72.94 -37.05 53.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 20' ' ' MET . . . -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 17' ' ' THR . 80.5 t80 -67.61 -38.84 84.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.1 m -63.97 -43.96 94.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.7 mmt -65.49 -44.36 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.088 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.529 ' CD1' HD23 ' A' ' 13' ' ' LEU . 87.4 t80 -64.05 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.58 -45.46 83.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.581 1.176 . . . . 0.0 109.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -61.23 -36.02 78.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.688 ' O ' ' HZ3' ' A' ' 10' ' ' TRP . 12.9 tmm? -71.78 -35.51 70.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.948 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.17 -32.63 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.3 -33.56 37.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.88 -6.43 82.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.389 1.056 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.368 ' CE1' ' HB2' ' A' ' 10' ' ' TRP . 64.8 t80 -50.44 149.11 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.464 0.743 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.85 -155.16 25.42 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -85.27 -35.37 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 0.8 . . . . 0.0 109.261 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.7 t -73.03 -27.73 61.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 40.2 tpp -90.9 -46.27 8.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -131.65 84.2 55.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.563 1.823 . . . . 0.0 110.931 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.607 ' O ' ' C ' ' A' ' 4' ' ' ILE . 48.1 mt-30 76.98 -62.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.607 ' C ' ' O ' ' A' ' 3' ' ' GLN . 1.1 pp -22.93 96.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.172 HG21 ' O ' ' A' ' 67' ' ' THR . 1.3 t 30.98 67.02 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.47 42.54 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -71.4 157.15 90.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.243 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -85.48 67.4 5.69 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.88 -21.07 60.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.476 ' CZ3' ' HA ' ' A' ' 61' ' ' LEU . 74.0 t-105 -71.75 -35.9 70.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mm -74.61 -40.36 47.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -64.74 -36.06 83.08 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.28 ' HG ' ' CE1' ' A' ' 57' ' ' TYR . 58.0 tp -69.02 -41.78 77.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.52 97.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.2 -39.39 89.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.05 99.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.065 HG23 ' HB3' ' A' ' 57' ' ' TYR . 39.1 m -68.79 -36.53 78.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.94 87.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -63.33 -45.62 90.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.964 ' HG3' ' CB ' ' A' ' 53' ' ' ALA . 12.2 tmm? -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.95 -50.89 55.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.435 1.084 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.55 -37.09 93.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.443 1.09 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.324 ' OG1' ' CB ' ' A' ' 50' ' ' PRO . 47.4 m -68.9 -43.22 75.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 0.795 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -63.61 -39.3 94.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.926 ' CZ ' ' OG1' ' A' ' 47' ' ' THR . 58.1 t80 -69.77 -31.25 69.09 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.017 HD12 HG22 ' A' ' 47' ' ' THR . 3.2 mp -73.12 -36.52 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.403 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.9 t -64.28 -42.95 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.176 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -71.02 -39.27 72.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -42.68 98.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.3 ttp -74.57 -39.76 62.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.78 -61.86 0.57 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 62.36 27.97 16.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -67.97 -32.57 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -71.68 -44.83 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.09 -39.8 91.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -68.73 -40.42 79.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.59 92.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.6 mt -62.32 -41.63 92.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.759 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 94.6 m -66.14 -25.55 67.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.017 HG22 HD12 ' A' ' 28' ' ' LEU . 92.3 m -88.11 -16.19 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.15 6.19 38.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.23 -49.12 89.55 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.324 ' CB ' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -74.99 -16.36 20.28 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -73.5 -48.99 28.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 pt -72.04 -28.9 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.964 ' CB ' ' HG3' ' A' ' 20' ' ' MET . . . -68.19 -45.51 73.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.88 ' HD1' ' O ' ' A' ' 17' ' ' THR . 42.3 t80 -67.09 -38.19 85.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 110.916 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.8 m -67.85 -39.12 83.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 110.459 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.6 ttm -67.39 -40.59 85.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.28 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 64.8 t80 -61.46 -42.29 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.853 ' HG ' HG21 ' A' ' 17' ' ' THR . 40.4 mt -68.12 -36.74 80.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -66.27 -37.0 84.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.3 mmt -69.55 -49.75 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.476 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 3.6 mm? -59.67 -39.78 85.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.11 -39.55 86.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.07 91.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -77.47 156.81 30.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -170.7 -62.35 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.076 . . . . 0.0 111.016 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.62 -35.28 58.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.172 ' O ' HG21 ' A' ' 5' ' ' THR . 49.2 m -77.69 -28.12 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.65 ' SD ' ' CE3' ' A' ' 10' ' ' TRP . 13.9 tpt -62.52 -41.56 98.93 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.6 m -95.93 152.95 39.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.217 0 O-C-N 124.474 1.776 . . . . 0.0 111.067 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.296 ' C ' ' HG ' ' A' ' 66' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 1.429 ' N ' ' HG ' ' A' ' 66' ' ' LEU . 4.7 tp-100 -66.65 -17.11 64.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -90.19 7.43 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 65' ' ' GLY . 1.4 t 33.23 66.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.94 95.5 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.328 ' NH1' ' CA ' ' A' ' 67' ' ' THR . 32.9 ptt-85 -55.24 137.13 68.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.319 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -87.81 -10.67 5.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.808 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 1.366 ' CD ' HG23 ' A' ' 69' ' ' VAL . 8.9 pt-20 -65.28 -26.31 68.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.707 ' CH2' ' HA ' ' A' ' 61' ' ' LEU . 76.5 t-105 -72.46 -35.33 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.95 -37.26 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -65.88 -36.37 83.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.609 1.193 . . . . 0.0 107.981 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.612 ' CD2' ' CD1' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -68.75 -42.85 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.7 90.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.74 -39.3 93.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.07 98.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 57' ' ' TYR . 40.5 m -71.05 -34.14 70.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.21 -48.03 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 1.079 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.8 -43.83 98.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.373 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.355 ' CE ' ' H ' ' A' ' 54' ' ' PHE . 2.1 tmt? -60.99 -41.37 96.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.73 -45.63 95.36 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.63 -36.77 84.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.68 -39.21 95.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.268 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 52.3 m -68.18 -42.3 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.26 -44.03 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -63.79 -38.62 91.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.082 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CZ ' ' C ' ' A' ' 46' ' ' THR . 91.4 t80 -65.73 -35.17 79.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 47' ' ' THR . 21.5 mt -72.08 -38.22 69.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.9 -30.54 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -73.48 -44.61 57.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.078 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 1.405 ' CA ' ' OH ' ' A' ' 43' ' ' TYR . . . -64.01 -47.34 86.6 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.3 ttm -72.15 -30.81 65.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.793 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -65.11 1.61 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 0.795 . . . . 0.0 109.288 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.947 0 N-CA-C 110.965 -0.436 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -70.57 -31.02 67.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.62 160.47 27.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -143.8 -58.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.175 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 -52.23 30.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -64.29 -32.66 74.34 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 1.405 ' OH ' ' CA ' ' A' ' 31' ' ' GLY . 80.5 t80 -70.07 -39.65 75.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.175 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.9 mt -61.64 -48.68 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.893 ' C ' ' CZ ' ' A' ' 27' ' ' PHE . 1.7 p -65.98 -24.26 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 28' ' ' LEU . 55.1 m -86.87 -15.94 37.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.8 mt -106.55 7.2 30.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER -61.12 -49.01 90.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.268 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -75.05 -23.22 13.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.588 1.836 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.888 ' CA ' HG21 ' A' ' 24' ' ' THR . . . -71.37 -41.17 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 mt -73.23 -39.06 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.068 ' HB3' ' HE2' ' A' ' 20' ' ' MET . . . -62.43 -41.61 98.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 1.355 ' H ' ' CE ' ' A' ' 20' ' ' MET . 79.7 t80 -67.81 -39.37 83.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 m -62.92 -44.88 94.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.641 1.213 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 111.078 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.612 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 84.2 t80 -62.87 -37.83 88.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.398 1.061 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 tt -64.85 -44.44 89.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 m -60.82 -40.65 93.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.962 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.9 mmt -63.78 -47.41 81.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.707 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 3.2 mm? -61.19 -34.06 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -67.49 -44.17 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.01 95.06 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.27 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 25.2 m-85 -81.51 172.71 13.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 0.797 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' ' HB ' ' A' ' 5' ' ' THR . . . -173.2 -58.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.429 ' HG ' ' N ' ' A' ' 3' ' ' GLN . 10.9 mp -85.0 -42.43 14.9 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 0.779 . . . . 0.0 109.365 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.328 ' CA ' ' NH1' ' A' ' 7' ' ' ARG . 97.8 m -139.51 135.28 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 1.612 ' HE3' ' CA ' ' A' ' 10' ' ' TRP . 44.8 ttm -81.92 -39.69 23.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.366 HG23 ' CD ' ' A' ' 9' ' ' GLU . 74.0 t -69.37 118.65 64.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.961 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.017 ' N ' ' O ' ' A' ' 64' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -87.23 67.79 9.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -30.77 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.417 1.073 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 t -85.28 140.87 30.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 58.29 -141.51 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 1.313 ' CG ' ' OH ' ' A' ' 64' ' ' TYR . 5.4 tpt85 55.77 79.72 0.32 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.596 0.821 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.35 -17.82 34.65 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -71.47 -41.3 69.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 1.337 ' CD1' HD13 ' A' ' 61' ' ' LEU . 39.8 t90 -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.019 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.78 -39.07 81.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -66.5 -35.83 81.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 107.975 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.663 HD23 ' CE1' ' A' ' 57' ' ' TYR . 1.1 tt -67.21 -42.08 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.01 99.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -41.6 99.55 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.491 1.12 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 57' ' ' TYR . 41.4 m -67.73 -36.73 81.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 0.728 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.7 87.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.235 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 19' ' ' LEU . 1.2 tt -64.38 -45.16 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.979 ' HE2' ' HB1' ' A' ' 53' ' ' ALA . 47.3 tpp -64.61 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.71 -53.13 36.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.602 1.189 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.83 -35.3 80.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.343 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.67 -37.0 93.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.341 ' OG1' ' HB2' ' A' ' 50' ' ' PRO . 53.2 m -70.89 -43.4 68.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.57 -42.25 99.43 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.601 1.188 . . . . 0.0 109.196 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -65.33 -38.85 91.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.577 1.173 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.869 ' HZ ' ' HB ' ' A' ' 46' ' ' THR . 47.3 t80 -67.88 -31.56 71.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.641 HD12 ' CG2' ' A' ' 47' ' ' THR . 3.5 mp -73.47 -42.06 62.38 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 1.107 . . . . 0.0 109.221 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.93 -35.46 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -69.33 -42.86 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.39 96.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.162 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 44.6 ttm -67.42 -50.38 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' VAL . . . 50.57 55.09 18.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' GLY . 3.5 p . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.631 0.842 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.37 33.12 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.95 168.34 19.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -41.08 84.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -65.91 -48.23 72.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.93 -43.64 86.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -64.47 -38.4 90.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.598 1.186 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.99 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.66 -40.9 90.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.869 ' HB ' ' HZ ' ' A' ' 27' ' ' PHE . 55.8 m -67.75 -24.55 65.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 1.641 ' CG2' HD12 ' A' ' 28' ' ' LEU . 68.1 m -92.2 -10.58 38.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tp -101.77 -6.62 23.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.397 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 1.3 t -64.22 -49.68 71.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 1.341 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 18.2 Cg_endo -74.99 -19.09 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.31 -41.59 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.2 mt -72.89 -38.0 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.979 ' HB1' ' HE2' ' A' ' 20' ' ' MET . . . -63.87 -42.98 97.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' MET . 74.1 t80 -66.52 -40.09 88.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.4 m -65.23 -40.83 94.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.612 1.195 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.52 -45.3 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 1.663 ' CE1' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -65.73 -39.03 90.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.46 -41.45 96.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -66.27 -36.55 83.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 1.264 ' SD ' HD13 ' A' ' 13' ' ' LEU . 1.4 tmt? -67.99 -42.69 80.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.337 HD13 ' CD1' ' A' ' 10' ' ' TRP . 3.1 mm? -67.84 -35.68 79.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.64 -42.55 86.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.384 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.88 90.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 1.313 ' OH ' ' CG ' ' A' ' 7' ' ' ARG . 90.0 t80 -66.86 -37.77 85.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.415 0.715 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' CA ' ' N ' ' A' ' 2' ' ' ALA . . . -168.47 153.02 21.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -67.14 -38.99 86.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.856 ' O ' ' HZ2' ' A' ' 10' ' ' TRP . 87.9 m -85.3 126.01 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.439 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -153.31 34.31 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -132.24 83.53 55.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.998 . . . . . . . . 0 0 . 1 stop_ save_